[ViewVC] Diff of: group/trunk/OOPSE-4/ChangeLog

Comparing trunk/OOPSE-4/ChangeLog (file contents):
Revision 1594 by tim, Mon Oct 18 23:13:23 2004 UTC vs.
Revision 2727 by chrisfen, Fri Apr 21 19:32:07 2006 UTC

-+
+-04-20 23:19  chrisfen
-+
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+        * samples/water/spce/spce.md,
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+        src/UseTheForce/DarkSide/electrostatic.F90: Electrosplines added...
-+
-+
+-04-20 17:02  chrisfen
-+
-+
+        * samples/argon/500.md, src/UseTheForce/DarkSide/sticky.F90,
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+        src/UseTheForce/DarkSide/switcheroo.F90: splined up sticky
-+
-+
+-04-20 14:24  gezelter
-+
-+
+        * samples/metals/EAM/Au_bulk_voter.md,
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+        samples/metals/Sutton-Chen/Au_bulk_SC.md,
-+
+        samples/water/ssde/ssde.md, src/UseTheForce/ForceField.cpp,
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+        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/LJ.F90,
-+
+        src/UseTheForce/DarkSide/eam.F90,
-+
+        src/UseTheForce/DarkSide/electrostatic.F90,
-+
+        src/UseTheForce/DarkSide/suttonchen.F90,
-+
+        src/UseTheForce/DarkSide/switcheroo.F90,
-+
+        src/UseTheForce/DarkSide/switcheroo_interface.F90,
-+
+        src/UseTheForce/DarkSide/switcheroo_interface.h,
-+
+        src/utils/interpolation.F90: Complete rewrite of spline code and
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+        everything that uses it.
-+
-+
+-04-17 17:49  gezelter
-+
-+
+        * configure, ac-tools/aclocal.m4, samples/argon/500.md,
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+        samples/metals/EAM/Au_bulk_voter.md,
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+        samples/metals/Sutton-Chen/Au_bulk_SC.md,
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+        samples/water/ssde/ssde.md, src/UseTheForce/doForces.F90,
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+        src/UseTheForce/DarkSide/LJ.F90, src/UseTheForce/DarkSide/eam.F90,
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+        src/UseTheForce/DarkSide/electrostatic.F90,
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+        src/UseTheForce/DarkSide/interpolation.F90,
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+        src/UseTheForce/DarkSide/sticky.F90,
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+        src/UseTheForce/DarkSide/suttonchen.F90,
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+        src/UseTheForce/DarkSide/switcheroo.F90,
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+        src/applications/hydrodynamics/Hydro.ggo,
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+        src/applications/hydrodynamics/HydroCmd.c,
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+        src/applications/hydrodynamics/HydroCmd.h,
-+
+        src/mdParser/SimplePreprocessor.hpp, src/types/DataHolder.hpp,
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+        src/utils/interpolation.F90: Many performance improvements
-+
-+
+-04-15 22:51  chrisfen
-+
-+
+        * configure, samples/argon/500.md, src/UseTheForce/doForces.F90,
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+        src/UseTheForce/fSwitchingFunction.h,
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+        src/UseTheForce/DarkSide/electrostatic.F90,
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+        src/UseTheForce/DarkSide/switcheroo.F90: added a cubic spline to
-+
+        switcheroo
-+
-+
+-04-15 17:58  chrisfen
-+
-+
+        * src/utils/Makefile.in: Since status.F90 is used by
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+        interpolation.F90, the former needs to be listed above the later in
-+
+        the Makefile.
-+
-+
+-04-14 17:59  gezelter
-+
-+
+        * src/utils/interpolation.F90: changed the interface a bit
-+
-+
+-04-14 17:49  gezelter
-+
-+
+        * src/utils/interpolation.F90: added some logical flags
-+
-+
+-04-14 17:06  chrisfen
-+
-+
+        * src/utils/interpolation.F90: Wiped the spline with derivatives
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+        and corrected a boundary comparision error by eliminating the
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+        check.  This algorithm REQUIRES known first derivatives at the
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+        endpoints.
-+
-+
+-04-14 16:04  gezelter
-+
-+
+        * src/utils/: Makefile.in, interpolation.F90: bug fixes for
-+
+        interpolation module
-+
-+
+-04-14 15:57  gezelter
-+
-+
+        * src/utils/interpolation.F90: Heavily modified interpolation
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+        module, also moved to "utils"
-+
-+
+-04-12 17:15  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/interpolation.F90: Added interpolation
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+        module.
-+
-+
+-04-11 11:33  gezelter
-+
-+
+        * src/applications/staticProps/: StaticProps.ggo, StaticPropsCmd.c,
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+        StaticPropsCmd.h: [no log message]
-+
-+
+-04-03 11:37  chuckv
-+
-+
+        * configure, ac-tools/aclocal.m4, make/Makefile.in,
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+        src/UseTheForce/DarkSide/simParallel.F90: Added status module to
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+        simParallel for error reporting.
-+
-+
+-03-31 13:09  tim
-+
-+
+        * src/: integrators/NPrT.cpp, io/Globals.cpp: NPrT might work now
-+
-+
+-03-30 16:08  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/suttonchen.F90: Fixed memory leak bug
-+
+        where SCList capacity was not reset to zero on destruction.
-+
-+
+-03-30 14:37  chuckv
-+
-+
+        * src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp:
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+        More testing of nanoparticleBuilder.
-+
-+
+-03-29 17:24  chuckv
-+
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+        * src/mdParser/SimplePreprocessor.hpp: Added check to make sure md
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+        file exists.
-+
-+
+-03-29 14:17  chuckv
-+
-+
+        * src/: applications/nanoparticleBuilder/nanoparticleBuilder.cpp,
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+        lattice/shapedLattice.cpp, lattice/shapedLattice.hpp: Fixed
-+
+        latticeOrt in shapedlatice and latticebuilder.
-+
-+
+-03-29 13:11  tim
-+
-+
+        * src/applications/dynamicProps/: DipoleCorrFunc.cpp,
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+        LegendreCorrFunc.cpp, VCorrFunc.cpp: Fix the normalization problem
-+
+        in calculating correlation functions
-+
-+
+-03-29 13:09  tim
-+
-+
+        * src/applications/hydrodynamics/: ApproximationModel.cpp,
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+        ApproximationModel.hpp, CompositeShape.cpp, Hydro.cpp, Hydro.ggo,
-+
+        HydroCmd.c, HydroCmd.h, HydrodynamicsModel.hpp, RoughShell.cpp: (1)
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+        RoughShell Model is working; (20)Adding a new option into Hydro
-+
+        which allows user to generate the beads only
-+
-+
+-03-27 11:21  chuckv
-+
-+
+        * src/applications/nanoparticleBuilder/Makefile: Makefile for
-+
+        nanoparticle builder.
-+
-+
+-03-27 11:03  chuckv
-+
-+
+        * make/Makefile.in, src/lattice/shapedLattice.cpp,
-+
+        src/lattice/shapedLattice.hpp: Added nanoparticle builder to
-+
+        makefile
-+
-+
+-03-24 15:46  chuckv
-+
-+
+        * src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp:
-+
+        Debugging changes to nanoparticle builder.
-+
-+
+-03-24 12:29  tim
-+
-+
+        * src/applications/dynamicProps/: DynamicProps.cpp,
-+
+        DynamicProps.ggo, DynamicPropsCmd.c, DynamicPropsCmd.h, Makefile,
-+
+        RCorrFunc.cpp, RMSD.cpp, RMSD.hpp: back to previous DynamicProps
-+
-+
+-03-24 11:49  tim
-+
-+
+        * src/applications/dynamicProps/: DynamicProps.cpp,
-+
+        DynamicProps.ggo, DynamicPropsCmd.c, DynamicPropsCmd.h, Makefile,
-+
+        RCorrFunc.cpp, RMSD.cpp, RMSD.hpp: Adding position correlation
-+
+        function. The command line option for DynamicProps is now changed.
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+        --rcorr is for position correlation and --rmsd is for mean square
-+
+        displacement.
-+
-+
+-03-23 10:03  tim
-+
-+
+        * src/applications/hydrodynamics/: AnalyticalModel.cpp,
-+
+        AnalyticalModel.hpp, ApproximationModel.cpp,
-+
+        ApproximationModel.hpp, HydrodynamicsModel.hpp: update writeBeads
-+
+        method
-+
-+
+-03-23 10:02  tim
-+
-+
+        * src/io/Globals.hpp: remove a unknown method
-+
-+
+-03-23 10:00  tim
-+
-+
+        * src/math/CholeskyDecomposition.hpp: The off diagnal is not set
-+
-+
+-03-23 09:59  tim
-+
-+
+        * src/mdParser/SimplePreprocessor.hpp: Throw exception if the file
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+        can not be opened for preprocessing
-+
-+
+-03-22 15:57  chuckv
-+
-+
+        * src/applications/nanoparticleBuilder/: nanoparticleBuilder.cpp,
-+
+        shapedLatticeSpherical.cpp, shapedLatticeSpherical.hpp: Added
-+
+        shaped lattice.
-+
-+
+-03-21 10:33  tim
-+
-+
+        * src/applications/hydrodynamics/ApproximationModel.cpp: fix a bug
-+
+        in calculating hydrodynamics tensor when the radius of beads are
-+
+        not the same
-+
-+
+-03-20 19:26  tim
-+
-+
+        * src/: applications/hydrodynamics/AnalyticalModel.cpp,
-+
+        applications/hydrodynamics/BeadModel.cpp,
-+
+        applications/hydrodynamics/ShapeBuilder.cpp,
-+
+        integrators/LDForceManager.cpp: Fix a bug in friction calculation
-+
+        for ellipsoid
-+
-+
+-03-20 14:12  tim
-+
-+
+        * src/: applications/hydrodynamics/AnalyticalModel.cpp,
-+
+        applications/hydrodynamics/Ellipsoid.cpp,
-+
+        applications/hydrodynamics/Ellipsoid.hpp,
-+
+        applications/hydrodynamics/ShapeBuilder.cpp,
-+
+        integrators/LDForceManager.cpp: Verify the correctness of
-+
+        Ellipsoid's hydrodynamics properties
-+
-+
+-03-17 18:51  tim
-+
-+
+        * src/applications/hydrodynamics/: Hydro.cpp, ShapeBuilder.cpp: New
-+
+        version of Hydro is working now.
-+
-+
+-03-17 18:20  tim
-+
-+
+        * src/: applications/hydrodynamics/AnalyticalModel.cpp,
-+
+        applications/hydrodynamics/AnalyticalModel.hpp,
-+
+        applications/hydrodynamics/ApproximationModel.cpp,
-+
+        applications/hydrodynamics/ApproximationModel.hpp,
-+
+        applications/hydrodynamics/BeadModel.hpp,
-+
+        applications/hydrodynamics/CompositeShape.cpp,
-+
+        applications/hydrodynamics/CompositeShape.hpp,
-+
+        applications/hydrodynamics/Ellipsoid.cpp,
-+
+        applications/hydrodynamics/Ellipsoid.hpp,
-+
+        applications/hydrodynamics/Hydro.cpp,
-+
+        applications/hydrodynamics/Hydro.ggo,
-+
+        applications/hydrodynamics/HydroCmd.c,
-+
+        applications/hydrodynamics/HydroCmd.h,
-+
+        applications/hydrodynamics/HydrodynamicsModel.cpp,
-+
+        applications/hydrodynamics/HydrodynamicsModel.hpp,
-+
+        applications/hydrodynamics/HydrodynamicsModelCreator.hpp,
-+
+        applications/hydrodynamics/HydrodynamicsModelFactory.cpp,
-+
+        applications/hydrodynamics/HydrodynamicsModelFactory.hpp,
-+
+        applications/hydrodynamics/Makefile,
-+
+        applications/hydrodynamics/RoughShell.cpp,
-+
+        applications/hydrodynamics/RoughShell.hpp,
-+
+        applications/hydrodynamics/Shape.hpp,
-+
+        applications/hydrodynamics/ShapeBuilder.cpp,
-+
+        applications/hydrodynamics/ShapeBuilder.hpp,
-+
+        applications/hydrodynamics/Spheric.cpp,
-+
+        applications/hydrodynamics/Spheric.hpp,
-+
+        applications/hydrodynamics/StuntDoubleShape.cpp,
-+
+        applications/hydrodynamics/StuntDoubleShape.hpp,
-+
+        integrators/LDForceManager.cpp, integrators/LDForceManager.hpp,
-+
+        io/Globals.cpp, io/Globals.hpp, math/SquareMatrix.hpp,
-+
+        utils/HydroProps.hpp: refactor Hydrodynamics module.
-+
-+
+-03-17 11:10  chuckv
-+
-+
+        * src/lattice/: shapedLattice.cpp, shapedLattice.hpp, Makefile:
-+
+        Generic Shaped Lattice for oopse. Can overload to get spherical or
-+
+        nanorod.
-+
-+
+-03-16 17:50  tim
-+
-+
+        * src/: applications/hydrodynamics/HydrodynamicsModel.cpp,
-+
+        integrators/LDForceManager.cpp, math/MersenneTwister.hpp:
-+
+        LagevinDynamics is working?
-+
-+
+-03-16 16:52  gezelter
-+
-+
+        * src/applications/hydrodynamics/RoughShell.hpp: fixed a const
-+
+        problem
-+
-+
+-03-15 17:08  tim
-+
-+
+        * src/applications/hydrodynamics/HydrodynamicsModel.cpp: unit
-+
+        conversion for diffusion tensor is wrong
-+
-+
+-03-15 16:28  tim
-+
-+
+        * src/: applications/hydrodynamics/HydrodynamicsModel.cpp,
-+
+        utils/NumericConstant.hpp: change the epsilon of numeric_limit
-+
-+
+-03-15 15:58  tim
-+
-+
+        * src/applications/hydrodynamics/HydrodynamicsModel.cpp: correcting
-+
+        the unit in HydrodynamicsModel
-+
-+
+-03-15 12:35  tim
-+
-+
+        * src/primitives/RigidBody.cpp: using setFrc in
-+
+        RigidBody::calcForcesAndTorques will discard if there are force and
-+
+        torque applied in rigid body itself. use addFrc instead.
-+
-+
+-03-15 10:51  tim
-+
-+
+        * src/applications/hydrodynamics/: BeadModel.cpp, BeadModel.hpp,
-+
+        RoughShell.cpp, RoughShell.hpp: Adding RoughShell and BeadModel
-+
-+
+-03-15 10:50  tim
-+
-+
+        * make/Makefile.in, src/applications/hydrodynamics/Makefile: adding
-+
+        hydrodynamics module into build system
-+
-+
+-03-14 18:46  tim
-+
-+
+        * src/math/CholeskyDecomposition.hpp: adding Cholesky Decomposition
-+
-+
+-03-13 17:42  tim
-+
-+
+        * src/: applications/hydrodynamics/HydrodynamicsModel.cpp,
-+
+        applications/hydrodynamics/HydrodynamicsModel.hpp,
-+
+        applications/hydrodynamics/StuntDoubleShape.cpp,
-+
+        applications/hydrodynamics/StuntDoubleShape.hpp,
-+
+        brains/Register.cpp, integrators/LDForceManager.cpp,
-+
+        integrators/LDForceManager.hpp, integrators/LangevinDynamics.cpp,
-+
+        integrators/LangevinDynamics.hpp, integrators/Makefile,
-+
+        io/Globals.cpp, io/Globals.hpp, math/MersenneTwister.hpp,
-+
+        math/RandNumGen.hpp, math/SquareMatrix3.hpp: LangevinDynamics in
-+
+        progress
-+
-+
+-03-07 11:43  gezelter
-+
-+
+        * src/applications/staticProps/: RhoZ.cpp, RhoZ.hpp: Fixed a
-+
+        double/int bug.  Surprised no one ever noticed before...
-+
-+
+-02-24 16:17  tim
-+
-+
+        * src/applications/hydrodynamics/HydrodynamicsModel.cpp: fix bugs
-+
+        in HydrodynamicsModel; (1) sign issue of Xirr calculation (2) out
-+
+        product of Rij
-+
-+
+-02-23 18:16  tim
-+
-+
+        * src/applications/hydrodynamics/: Hydro.cpp, Hydro.ggo,
-+
+        HydroCmd.c, HydroCmd.h, HydrodynamicsModel.cpp,
-+
+        HydrodynamicsModel.hpp, HydrodynamicsModelCreator.hpp,
-+
+        HydrodynamicsModelFactory.cpp, HydrodynamicsModelFactory.hpp,
-+
+        MoleculeShape.cpp, MoleculeShape.hpp, StuntDoubleShape.cpp,
-+
+        StuntDoubleShape.hpp: Bead Model is working
-+
-+
+-02-22 15:35  tim
-+
-+
+        * src/: applications/hydrodynamics/Hydro.cpp,
-+
+        applications/hydrodynamics/Hydro.ggo,
-+
+        applications/hydrodynamics/HydroCmd.c,
-+
+        applications/hydrodynamics/HydroCmd.h,
-+
+        applications/hydrodynamics/HydrodynamicsModel.cpp,
-+
+        applications/hydrodynamics/HydrodynamicsModel.hpp,
-+
+        applications/hydrodynamics/HydrodynamicsModelCreator.hpp,
-+
+        applications/hydrodynamics/HydrodynamicsModelFactory.cpp,
-+
+        applications/hydrodynamics/HydrodynamicsModelFactory.hpp,
-+
+        applications/hydrodynamics/MoleculeShape.cpp,
-+
+        applications/hydrodynamics/MoleculeShape.hpp,
-+
+        math/DynamicRectMatrix.hpp, math/DynamicVector.hpp, math/LU.hpp,
-+
+        math/RectMatrix.hpp, math/SquareMatrix3.hpp: Adding Hydrodynamics
-+
+        Module
-+
-+
+-02-16 17:05  gezelter
-+
-+
+        * src/brains/Snapshot.cpp: fixed a spelling error
-+
-+
+-02-16 16:40  gezelter
-+
-+
+        * src/: UseTheForce/doForces.F90,
-+
+        UseTheForce/DarkSide/simulation.F90, math/Makefile,
-+
+        math/linearAlgebra.F90: fixed a problem with cutoff radii being set
-+
+        larger than 1/2 the length of the shortest box dimension.  added a
-+
+        few fortran utility routines
-+
-+
+-02-15 15:46  chuckv
-+
-+
+        * src/applications/nanoparticleBuilder/: sphericalNanoparticle.cpp,
-+
+        sphericalNanoparticle.hpp: Changed Names of class files.
-+
-+
+-02-10 10:45  kdaily
-+
-+
+        * src/applications/dynamicProps/LegendreCorrFunc.cpp: [no log
-+
+        message]
-+
-+
+-02-10 10:12  tim
-+
-+
+        * src/math/: LegendrePolynomial.cpp, Vector.hpp: fix a bug in
-+
+        converting integer to double
-+
-+
+-02-08 13:21  chrisfen
-+
-+
+        * forceFields/DUFF2.frc: added DPD molecule type parameters
-+
-+
+-02-07 11:39  tim
-+
-+
+        * src/applications/dynamicProps/: DipoleCorrFunc.cpp,
-+
+        LegendreCorrFunc.cpp: Fixing a bug which reads the wrong frame of
-+
+        trajectory file during analysis
-+
-+
+-02-02 12:14  tim
-+
-+
+        * src/: math/Polynomial.hpp, math/SquareMatrix3.hpp,
-+
+        types/AtomStamp.cpp: adding transpose into SquareMatrix3; fix a bug
-+
+        in AtomStamp where orientation is not set correctly.
-+
-+
+-02-02 11:49  gezelter
-+
-+
+        * src/primitives/RigidBody.cpp: fixed a bug in rigid bodies that
-+
+        contain directional atoms
-+
-+
+-02-02 10:49  xsun
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        visitors/AtomVisitor.cpp, visitors/AtomVisitor.hpp: Adding visitor
-+
+        for GBlipid atom type
-+
-+
+-02-01 21:57  gezelter
-+
-+
+        * make/Makefile.in: added CXXFLAGS to the LinkOptions to allow
-+
+        compilation with icc9 (skipping the gcc-4 std c++ libraries).
-+
-+
+-02-01 16:06  chrisfen
-+
-+
+        * src/brains/SimInfo.cpp: Missing brace caused the last commit not
-+
+        to build
-+
-+
+-02-01 15:54  chrisfen
-+
-+
+        * samples/water/spce/spce.md, src/brains/SimInfo.cpp: Changes to
-+
+        cutoff radius setting to a more logical procedure - still may
-+
+        change...
-+
-+
+-02-01 12:26  gezelter
-+
-+
+        * src/: math/Polynomial.hpp, utils/GenericData.hpp, utils/any.hpp:
-+
+        Fixing some compile-time warnings and bugs for icc 9.1 on Mac OS X
-+
-+
+-01-30 17:25  tim
-+
-+
+        * src/: applications/dynamicProps/DipoleCorrFunc.cpp,
-+
+        applications/dynamicProps/DynamicProps.cpp,
-+
+        applications/dynamicProps/DynamicProps.ggo,
-+
+        applications/dynamicProps/DynamicPropsCmd.c,
-+
+        applications/dynamicProps/DynamicPropsCmd.h,
-+
+        applications/dynamicProps/LegendreCorrFunc.cpp,
-+
+        applications/dynamicProps/LegendreCorrFunc.hpp,
-+
+        applications/dynamicProps/Makefile, math/LegendrePolynomial.cpp,
-+
+        math/LegendrePolynomial.hpp, math/Makefile, math/Polynomial.hpp:
-+
+        Adding :LegendrePolynomial
-+
-+
+-01-19 17:54  chuckv
-+
-+
+        * src/applications/nanoparticleBuilder/: Makefile,
-+
+        nanoparticleBuilder.cpp, sphericalNanoparticle.hpp: Changes to
-+
+        nanoparticle builder
-+
-+
+-01-18 16:08  chuckv
-+
-+
+        * src/applications/nanoparticleBuilder/Makefile: Added Makefile for
-+
+        nanoparticle builder.
-+
-+
+-01-17 11:16  gezelter
-+
-+
+        * AUTHORS, README: Cleaning up for 3.0.1 release
-+
-+
+-01-17 10:50  gezelter
-+
-+
+        * ChangeLog: Prepping 3.0.1 release
-+
-+
+-01-17 10:32  gezelter
-+
-+
+        * src/config.h.in: new version number
-+
-+
+-01-17 10:32  gezelter
-+
-+
+        * doc/: OOPSE.pdf, SelectionExpression.html, cppstyle.html,
-+
+        definition.jpg, gofr.jpg, gofrtheta.jpg, heirarchy.png,
-+
+        oopseManual.pdf: Updated Documentation
-+
-+
+-01-16 18:10  gezelter
-+
-+
+        * ChangeLog, README: Getting ready for release!
-+
-+
+-01-16 10:26  gezelter
-+
-+
+        * configure: Testing commit
-+
-+
+-01-13 16:57  chuckv
-+
-+
+        * src/: UseTheForce/SC_FF.cpp,
-+
+        applications/nanoparticleBuilder/sphericalNanoparticle.cpp,
-+
+        io/Globals.cpp, io/Globals.hpp: Removed MixingRule from Globals.
-+
+        Handled by forceField now.
-+
-+
+-01-13 14:17  chuckv
-+
-+
+        * src/io/Globals.cpp: Added NPAT to Globals integrators.
-+
-+
+-01-13 11:33  gezelter
-+
-+
+        * Makefile: [no log message]
-+
-+
+-01-13 11:26  gezelter
-+
-+
+        * Makefile: testing to make sure GNU make is the make that was used
-+
+        to build OOPSE
-+
-+
+-01-13 10:48  gezelter
-+
-+
+        * configure, ac-tools/configure.in: changed compiler search order
-+
-+
+-01-12 19:09  chuckv
-+
-+
+        * forceFields/SuttonChen.QSC.frc, forceFields/SuttonChen.frc,
-+
+        samples/metals/Sutton-Chen/Au_bulk.in,
-+
+        samples/metals/Sutton-Chen/Au_bulk_QSC.md,
-+
+        samples/metals/Sutton-Chen/Au_bulk_SC.md: Changes in Sutton-Chen
-+
+        units
-+
-+
+-01-12 16:16  gezelter
-+
-+
+        * LICENSE, configure, src/applications/oopse/oopse.cpp: fixed some
-+
+        version info and the copyright date
-+
-+
+-01-12 15:52  gezelter
-+
-+
+        * src/config.h.in: added some missing checks for header files
-+
+        (particularly zlib.h), used autoheader to help generate config.h.in
-+
-+
+-01-12 15:51  gezelter
-+
-+
+        * configure, ac-tools/configure.in: added some missing checks for
-+
+        header files (particularly zlib.h)
-+
-+
+-01-12 15:19  gezelter
-+
-+
+        * make/Makefile.in: fixed a dependency problem for the Executable
-+
+        builds
-+
-+
+-01-12 15:02  gezelter
-+
-+
+        * samples/gbljtest/Makefile: Missing Makefile in this sample
-+
+        directory
-+
-+
+-01-12 15:01  gezelter
-+
-+
+        * make/Makefile.in, samples/Makefile.in, samples/cutoff/Makefile:
-+
+        Old makefile.in no longer required
-+
-+
+-01-12 15:01  gezelter
-+
-+
+        * forceFields/: Makefile, Makefile.in: All of the OpenBabel stuff
-+
+        needs to be installed
-+
-+
+-01-12 14:56  chuckv
-+
-+
+        * src/io/DumpWriter.cpp: Changed formating.
-+
-+
+-01-12 11:47  chrisfen
-+
-+
+        * samples/water/tip4p/tp4.md,
-+
+        src/UseTheForce/DarkSide/electrostatic.F90,
-+
+        src/UseTheForce/DarkSide/electrostatic_interface.F90,
-+
+        src/UseTheForce/DarkSide/electrostatic_interface.h,
-+
+        src/brains/SimInfo.cpp: unifying function name in electrostatics
-+
-+
+-01-12 11:04  tim
-+
-+
+        * samples/metals/: EAM/nanoparticle/Makefile,
-+
+        EAM/nanorod/Au_nanoparticle.in, EAM/nanorod/Makefile,
-+
+        Sutton-Chen/Makefile: fix make install problem for metals samples
-+
-+
+-01-12 10:22  tim
-+
-+
+        * make/Makefile.in: remove samples/metals from install list.
-+
-+
+-01-12 09:31  tim
-+
-+
+        * src/io/: ForceFieldOptions.cpp, Globals.cpp: filepp can not
-+
+        handle multiple line macro, just convert multiple line macro into
-+
+        single line macro.
-+
-+
+-01-11 23:13  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/electrostatic.F90,
-+
+        UseTheForce/DarkSide/neighborLists.F90, io/Globals.cpp: Made some
-+
+        changes to electrostatics for shifted-potential and shifted-force
-+
+        with mono and multipoles
-+
-+
+-01-11 18:04  gezelter
-+
-+
+        * src/config.h.in, src/UseTheForce/doForces_interface.h,
-+
+        src/UseTheForce/DarkSide/atype_interface.h,
-+
+        src/UseTheForce/DarkSide/eam_interface.h,
-+
+        src/UseTheForce/DarkSide/electrostatic_interface.h,
-+
+        src/UseTheForce/DarkSide/fForceOptions_interface.h,
-+
+        src/UseTheForce/DarkSide/gb_interface.h,
-+
+        src/UseTheForce/DarkSide/lj_interface.h,
-+
+        src/UseTheForce/DarkSide/shapes_interface.h,
-+
+        src/UseTheForce/DarkSide/simParallel_interface.h,
-+
+        src/UseTheForce/DarkSide/simulation_interface.h,
-+
+        src/UseTheForce/DarkSide/sticky_interface.h,
-+
+        src/UseTheForce/DarkSide/suttonchen_interface.h,
-+
+        src/UseTheForce/DarkSide/switcheroo_interface.h,
-+
+        src/mdParser/MDParser.g, src/profiling/mdProfile.cpp,
-+
+        src/utils/fError.c, configure, make/Makefile.in: autoconf
-+
+        modernization and cruft removal
-+
-+
+-01-11 18:04  gezelter
-+
-+
+        * ac-tools/: aclocal.m4, configure.in, fortran90.m4: autoconf
-+
+        modernization and cruft-removal
-+
-+
+-01-11 17:50  tim
-+
-+
+        * src/types/: BendStamp.hpp, BondStamp.hpp, TorsionStamp.hpp: fix
-+
+        some error messages
-+
-+
+-01-11 14:01  tim
-+
-+
+        * src/: applications/staticProps/RhoZ.cpp, brains/SimCreator.cpp,
-+
+        io/Globals.cpp, types/AtomStamp.cpp, types/BendStamp.hpp,
-+
+        types/BondStamp.hpp, types/DataHolder.hpp, types/MoleculeStamp.cpp,
-+
+        types/TorsionStamp.hpp, utils/OOPSEException.hpp,
-+
+        utils/StringUtils.hpp: instead of printing to std::cout, throwing
-+
+        an exception when error is found.
-+
-+
+-01-11 13:41  gezelter
-+
-+
+        * src/types/: AtomStamp.hpp, MoleculeStamp.cpp: Fixed a spelling
-+
+        error
-+
-+
+-01-10 17:55  chuckv
-+
-+
+        * forceFields/SuttonChen.frc: Changed conversion factor.
-+
-+
+-01-10 16:14  chuckv
-+
-+
+        * samples/metals/Sutton-Chen/Au_bulk_SC.md,
-+
+        src/UseTheForce/DarkSide/suttonchen.F90: Sutton and Chen should be
-+
+        working now.
-+
-+
+-01-09 17:22  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: Fixed SC bug with SIM_uses_SC
-+
-+
+-01-09 17:14  tim
-+
-+
+        * src/applications/staticProps/: Makefile, RhoZ.cpp, RhoZ.hpp,
-+
+        StaticProps.cpp, StaticProps.ggo, StaticPropsCmd.c,
-+
+        StaticPropsCmd.h: fixing RhoZ
-+
-+
+-01-09 14:26  chuckv
-+
-+
+        * forceFields/SuttonChen.frc,
-+
+        samples/metals/Sutton-Chen/Au_bulk_SC.md,
-+
+        src/io/LennardJonesAtomTypesSectionParser.cpp,
-+
+        src/io/SCAtomTypesSectionParser.cpp: Added energy scaling to
-+
+        section parsers.
-+
-+
+-01-09 14:11  tim
-+
-+
+        * src/: io/ForceFieldOptions.hpp, utils/StringUtils.cpp,
-+
+        utils/StringUtils.hpp: replace isType<int> with isInteger
-+
-+
+-01-06 16:15  tim
-+
-+
+        * src/UseTheForce/: SC_FF.cpp, SC_FF.hpp: remove extra
-+
+        forceFieldOptions from SC_FF
-+
-+
+-01-06 15:27  chuckv
-+
-+
+        * forceFields/SuttonChen.frc: Add force file.
-+
-+
+-12-31 17:42  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/suttonchen.F90: Sutton-Chen no longer
-+
+        segfaults or produces 0 potential, but rather produces Inf for the
-+
+        potential. Progress....
-+
-+
+-12-30 18:15  chuckv
-+
-+
+        * samples/metals/Sutton-Chen/Au_bulk_SC.md,
-+
+        src/UseTheForce/SC_FF.cpp, src/UseTheForce/doForces.F90,
-+
+        src/UseTheForce/DarkSide/suttonchen.F90, src/brains/SimInfo.cpp,
-+
+        src/io/ForceFieldOptions.cpp, src/io/ForceFieldOptions.hpp: More
-+
+        Sutton-Chen bug fixes.
-+
-+
+-12-30 16:25  tim
-+
-+
+        * src/: UseTheForce/doForces.F90, brains/Thermo.cpp: Long range
-+
+        potential return from fortran is already accumulated, it should not
-+
+        be accumulated again; nGroupTypesCol is not initialized;
-+
+        GroupMaxCutoffCol is not allocated;
-+
-+
+-12-30 10:32  tim
-+
-+
+        * make/Makefile.in, src/brains/SimCreator.cpp: In order to compile
-+
+        MPI version, we need to cast const char* to void* for
-+
+        stringstream.str(); Previous Makefile use bjects of single version
-+
+        to make the MPI library;
-+
-+
+-12-29 19:18  chuckv
-+
-+
+        * make/Makefile.in, samples/metals/Makefile,
-+
+        src/UseTheForce/SC_FF.cpp, src/UseTheForce/doForces.F90,
-+
+        src/UseTheForce/DarkSide/suttonchen.F90: Sutton-Chen bug fixes.
-+
+        Almost there...
-+
-+
+-12-29 15:19  chuckv
-+
-+
+        * forceFields/: SuttonChen.QSC.frc, SuttonChen.SC.frc: Changes in
-+
+        forcefield.
-+
-+
+-12-29 15:07  chuckv
-+
-+
+        * samples/metals/Sutton-Chen/: Au_bulk.in, Au_bulk_SC.md, Makefile,
-+
+        metals.md: added files for sutton-chen
-+
-+
+-12-29 11:37  chuckv
-+
-+
+        * samples/metals/EAM/nanorod/: Au_nanoparticle_FCC.md, Makefile,
-+
+        metals.md: More cvs changing.
-+
-+
+-12-29 11:34  chuckv
-+
-+
+        * samples/metals/Au_nanoparticle.in: More moving...
-+
-+
+-12-29 11:33  chuckv
-+
-+
+        * samples/metals/EAM/nanoparticle/:
-+
+        Au-Core-Ag-Shell_Nanoparticle.in, Au-Core-Ag-Shell_Nanoparticle.md,
-+
+        Au_nanoparticle.in, Au_nanoparticle.md, Makefile, metals.md: More
-+
+        changes to directory structure.
-+
-+
+-12-29 11:21  chuckv
-+
-+
+        * samples/metals/EAM/: Au_bulk.in, Au_bulk_FBD.md,
-+
+        Au_bulk_voter.md, Makefile, metals.md: More Directory changes...
-+
-+
+-12-29 11:17  chuckv
-+
-+
+        * samples/metals/: Au-Core-Ag-Shell_Nanoparticle.in,
-+
+        Au-Core-Ag-Shell_Nanoparticle.md, Au_bulk.in, Au_bulk_FBD.md,
-+
+        Au_bulk_voter.md, Au_nanoparticle.md, metals.md: More changing of
-+
+        directory structure
-+
-+
+-12-29 11:03  chuckv
-+
-+
+        * src/: UseTheForce/DarkSide/fForceOptions_interface.F90,
-+
+        brains/SimCreator.cpp: Fixed issue with symbol naming and added
-+
+        call to set force options in SimCreator.
-+
-+
+-12-28 16:44  chuckv
-+
-+
+        * src/io/: ForceFieldOptions.cpp, ForceFieldOptions.hpp: More
-+
+        changes to forcefield options.
-+
-+
+-12-28 16:42  chuckv
-+
-+
+        * src/UseTheForce/: ForceField.cpp, ForceField.hpp: Force options
-+
+        passed to fortran.
-+
-+
+-12-23 18:04  chuckv
-+
-+
+        * src/: UseTheForce/DarkSide/fForceOptions_interface.h,
-+
+        io/ForceFieldOptions.cpp, io/ForceFieldOptions.hpp: Force option
-+
+        changes.
-+
-+
+-12-16 16:52  tim
-+
-+
+        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
-+
+        src/config.h.in, src/UseTheForce/DarkSide/gb.F90,
-+
+        src/openbabel/bitvec.cpp, src/openbabel/bondtyper.cpp,
-+
+        src/openbabel/chains.cpp, src/openbabel/chiral.cpp,
-+
+        src/openbabel/data.cpp, src/openbabel/fingerprint.cpp,
-+
+        src/openbabel/fingerprintformat.cpp, src/openbabel/generic.cpp,
-+
+        src/openbabel/gromos96format.hpp, src/openbabel/kekulize.cpp,
-+
+        src/openbabel/matrix3x3.cpp, src/openbabel/mol.cpp,
-+
+        src/openbabel/molchrg.cpp, src/openbabel/obatom.cpp,
-+
+        src/openbabel/obbond.cpp, src/openbabel/oberror.cpp,
-+
+        src/openbabel/oberror.hpp, src/openbabel/obmolecformat.hpp,
-+
+        src/openbabel/obutil.cpp, src/openbabel/patty.cpp,
-+
+        src/openbabel/pdbformat.cpp, src/openbabel/phmodel.cpp,
-+
+        src/openbabel/povrayformat.hpp, src/openbabel/residue.cpp,
-+
+        src/openbabel/ring.cpp, src/openbabel/rotor.cpp,
-+
+        src/openbabel/smilesformat.cpp, src/openbabel/tinkerformat.hpp,
-+
+        src/openbabel/typer.cpp, src/openbabel/xyzformat.cpp: changed
-+
+        __FUNCTION__ to __func__ to match C99 standard, and then added an
-+
+        autoconf test to check for __func__ usability.  Changed some
-+
+        default compile flags for the Sun architecture
-+
-+
+-12-16 14:01  gezelter
-+
-+
+        * ac-tools/AC_CXX_HAVE_STL.m4: added the STL check
-+
-+
+-12-16 13:55  tim
-+
-+
+        * src/utils/: CaseConversion.hpp, ParameterManager.hpp: make minor
-+
+        change to build oopse under solaris
-+
-+
+-12-16 13:26  tim
-+
-+
+        * src/: brains/SimCreator.cpp, io/Globals.cpp,
-+
+        types/MoleculeStamp.cpp, utils/Predicate.hpp: the standard library
-+
+        came with SUN compiler does not have a conforming std::use_facet,
-+
+        define a macro to handle it. Adding exception handling to
-+
+        SimCreator.
-+
-+
+-12-16 10:53  gezelter
-+
-+
+        * samples/cutoff/: GB-Ar-max.md, GB-Ar-mix.md,
-+
+        GB-Ar-traditional.md, gb-ar.in: Removed one parasitic argon atom
-+
+        which was living inside the GB particle.  No alien-like ripping out
-+
+        of the stomach was required.
-+
-+
+-12-15 21:57  tim
-+
-+
+        * src/mdParser/: MDLexer.cpp, MDLexer.hpp, MDParser.cpp,
-+
+        MDParser.g, MDParser.hpp, MDTokenTypes.hpp, MDTreeParser.cpp,
-+
+        MDTreeParser.g, MDTreeParser.hpp, MDTreeParserTokenTypes.hpp:
-+
+        replace grammar for numerical parsing
-+
-+
+-12-15 16:43  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: fixed a cutoff bug
-+
-+
+-12-15 09:48  gezelter
-+
-+
+        * src/antlr/: CharScanner.hpp, config.hpp: Removing compiler
-+
+        dependencies and replacing them with real autoconf checks
-+
-+
+-12-15 09:47  gezelter
-+
-+
+        * configure, ac-tools/AC_CXX_NAMESPACES.m4, ac-tools/AC_CXX_STD.m4,
-+
+        ac-tools/configure.in, src/config.h.in: Adding checks for various
-+
+        features used by ANTLR
-+
-+
+-12-14 13:02  tim
-+
-+
+        * src/mdParser/: MDLexer.cpp, MDLexer.hpp, MDParser.cpp,
-+
+        MDParser.g, MDParser.hpp, MDTokenTypes.hpp, MDTreeParser.cpp,
-+
+        MDTreeParser.g, MDTreeParser.hpp, MDTreeParserTokenTypes.hpp: fix a
-+
+        nasty negative integer parsing problem by refining the grammar
-+
-+
+-12-12 14:32  gezelter
-+
-+
+        * src/: UseTheForce/doForces_interface.F90,
-+
+        UseTheForce/doForces_interface.h,
-+
+        UseTheForce/DarkSide/electrostatic.F90,
-+
+        UseTheForce/DarkSide/electrostatic_interface.F90,
-+
+        UseTheForce/DarkSide/electrostatic_interface.h,
-+
+        brains/MoleculeCreator.cpp, brains/SimInfo.cpp,
-+
+        math/ChebyshevPolynomials.hpp, openbabel/obconversion.hpp: made
-+
+        some minor changes to allow compilation with the portland group
-+
+        compilers
-+
-+
+-12-10 11:54  tim
-+
-+
+        * src/: types/MoleculeStamp.cpp, utils/Tuple.hpp: fixed compilation
-+
+        problem for icc7
-+
-+
+-12-09 16:18  gezelter
-+
-+
+        * src/utils/CaseConversion.hpp: added missing include
-+
-+
+-12-09 12:11  gezelter
-+
-+
+        * configure, ac-tools/aclocal.m4: added some checks for pathscale
-+
+        compiler
-+
-+
+-12-08 17:05  gezelter
-+
-+
+        * src/io/ForceFieldOptions.cpp: added copyright
-+
-+
+-12-08 17:04  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: added info printout
-+
-+
+-12-08 17:04  gezelter
-+
-+
+        * configure, ac-tools/configure.in: added pathscale
-+
-+
+-12-08 10:38  chuckv
-+
-+
+        * src/: UseTheForce/CLAYFF.cpp, UseTheForce/DUFF.cpp,
-+
+        UseTheForce/EAM_FF.cpp, UseTheForce/SC_FF.cpp,
-+
+        UseTheForce/SHAPES_FF.cpp, io/BendTypesSectionParser.cpp,
-+
+        io/BendTypesSectionParser.hpp, io/BondTypesSectionParser.cpp,
-+
+        io/BondTypesSectionParser.hpp, io/ChargeAtomTypesSectionParser.cpp,
-+
+        io/ChargeAtomTypesSectionParser.hpp,
-+
+        io/DirectionalAtomTypesSectionParser.cpp,
-+
+        io/DirectionalAtomTypesSectionParser.hpp,
-+
+        io/EAMAtomTypesSectionParser.cpp, io/EAMAtomTypesSectionParser.hpp,
-+
+        io/GayBerneAtomTypesSectionParser.cpp,
-+
+        io/GayBerneAtomTypesSectionParser.hpp,
-+
+        io/MultipoleAtomTypesSectionParser.cpp,
-+
+        io/MultipoleAtomTypesSectionParser.hpp,
-+
+        io/SCAtomTypesSectionParser.cpp, io/SCAtomTypesSectionParser.hpp,
-+
+        io/ShapeAtomTypesSectionParser.cpp,
-+
+        io/ShapeAtomTypesSectionParser.hpp,
-+
+        io/StickyAtomTypesSectionParser.cpp,
-+
+        io/StickyAtomTypesSectionParser.hpp,
-+
+        io/StickyPowerAtomTypesSectionParser.cpp,
-+
+        io/StickyPowerAtomTypesSectionParser.hpp,
-+
+        io/TorsionTypesSectionParser.cpp, io/TorsionTypesSectionParser.hpp:
-+
+        Wow thats alot o' files. Now passing forceFieldOptions to all of
-+
+        the parsers.
-+
-+
+-12-07 18:10  chuckv
-+
-+
+        * src/UseTheForce/: CLAYFF.cpp, DUFF.cpp, EAM_FF.cpp, EAM_FF.hpp,
-+
+        SHAPES_FF.cpp, SHAPES_FF.hpp: This should really break things....
-+
+        Started adding support for ForceOptions to section parsers.
-+
-+
+-12-07 18:01  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/gb_interface.h: [no log message]
-+
-+
+-12-07 18:00  chuckv
-+
-+
+        * src/io/: LennardJonesAtomTypesSectionParser.cpp,
-+
+        LennardJonesAtomTypesSectionParser.hpp: Added forceOptions to
-+
+        section parser
-+
-+
+-12-07 14:58  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/: LJ.F90, lj_interface.F90,
-+
+        lj_interface.h, suttonchen.F90, suttonchen_interface.F90,
-+
+        suttonchen_interface.h: Removed geometric distance mixing from
-+
+        individual modules and now use force options to detemine what the
-+
+        deal is.
-+
-+
+-12-07 14:46  chuckv
-+
-+
+        * src/UseTheForce/: fForceOptions.h, DarkSide/fForceOptions.F90:
-+
+        Further fixes for compiler issues.
-+
-+
+-12-07 14:44  chuckv
-+
-+
+        * src/UseTheForce/fForceOptions.h: Fixed ifc public-private issue.
-+
-+
+-12-07 14:38  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/: Makefile, fForceOptions.F90,
-+
+        fForceOptions_interface.F90, fForceOptions_interface.h: Added
-+
+        support for fortran force options.
-+
-+
+-12-06 16:01  tim
-+
-+
+        * src/types/MoleculeStamp.cpp: Fixed a bug in checkTorsion
-+
-+
+-12-06 14:26  chuckv
-+
-+
+        * src/UseTheForce/: SC_FF.cpp, SC_FF.hpp: Changes to SC.
-+
-+
+-12-06 12:53  chuckv
-+
-+
+        * src/applications/nanoRodBuilder/: GeometryBuilder.cpp,
-+
+        GeometryBuilder.hpp, nanorodBuilder.cpp: Changes to build twinned
-+
+        crystal
-+
-+
+-12-06 12:52  chuckv
-+
-+
+        * src/io/: DumpWriter.cpp, DumpWriter.hpp: Overloaded interface for
-+
+        dumpwriter.
-+
-+
+-12-06 11:49  tim
-+
-+
+        * samples/: alkane/alkanes.md, alkane/butane.md, argon/500.md,
-+
+        argon/ar864.md, argon/argonNVT.md, argon/lj.md,
-+
+        dipole/splitDipole.md, dipole/splitInWater.md, dipole/split_SSD.md,
-+
+        dipole/twoSplitDipole.md, dipole/water.md, gbljtest/2gb.md,
-+
+        gbljtest/gb.md, gbljtest/gb2lj1.md, gbljtest/gbRotRoundX.md,
-+
+        gbljtest/gbRotRoundY.md, gbljtest/gbRotRoundZ.md, gbljtest/lj.md,
-+
+        lipid/5x5.md, lipid/lipid.md, lipid/water.md,
-+
+        metals/Au-Core-Ag-Shell_Nanoparticle.md, metals/Au_bulk_FBD.md,
-+
+        metals/Au_bulk_voter.md, metals/Au_nanoparticle.md,
-+
+        metals/metals.md, minimizer/ssdEM.md, minimizer/tip4p_two.md,
-+
+        minimizer/water.md, shape/linear.md,
-+
+        thermoIntegration/liquid/ssde.md,
-+
+        thermoIntegration/liquid/water.md, thermoIntegration/solid/ssde.md,
-+
+        thermoIntegration/solid/water.md, water/dimer/cl.md,
-+
+        water/dimer/mix.md, water/dimer/mix2.md, water/dimer/ssd.md,
-+
+        water/dimer/tap.md, water/dimer/two.md, water/dimer/water.md,
-+
+        water/spce/spce.md, water/spce/water.md, water/ssd/ssd.md,
-+
+        water/ssd/water.md, water/ssd-ion/ssdCl.md, water/ssd-ion/water.md,
-+
+        water/ssde/ssde.md, water/ssde/water.md, water/ssdrf/ssdrf.md,
-+
+        water/ssdrf/water.md, water/tap/tap.md, water/tap/water.md,
-+
+        water/tip3p_ice/tp3.md, water/tip3p_ice/water.md,
-+
+        water/tip4p/tp4.md, water/tip4p/water.md, zcons/water.md,
-+
+        zcons/zconsFixed.md, zcons/zconsMoving.md: remove deprecated
-+
+        keywords from samples
-+
-+
+-12-05 18:37  tim
-+
-+
+        * src/io/: ForceFieldOptions.cpp, ForceFieldOptions.hpp,
-+
+        Globals.cpp, Makefile: Fix parsing error in OptionSectionParser
-+
-+
+-12-05 17:23  gezelter
-+
-+
+        * src/: UseTheForce/CLAYFF.cpp, UseTheForce/CLAYFF.hpp,
-+
+        UseTheForce/Makefile, brains/Register.cpp,
-+
+        io/ForceFieldOptions.hpp, io/OptionSectionParser.cpp: Adding
-+
+        handler for CLAY force field
-+
-+
+-12-05 16:45  chuckv
-+
-+
+        * src/openbabel/: zipstream.hpp, zipstreamimpl.hpp: Fixed build bug
-+
+        in openbabel.
-+
-+
+-12-05 14:10  tim
-+
-+
+        * src/types/MoleculeStamp.cpp: reformat error message
-+
-+
+-12-05 14:07  gezelter
-+
-+
+        * forceFields/CLAYFF.frc: Adding .frc file for CLAYFF
-+
-+
+-12-05 13:23  tim
-+
-+
+        * src/: types/AtomStamp.cpp, types/AtomStamp.hpp,
-+
+        types/BendStamp.hpp, types/MoleculeStamp.cpp,
-+
+        types/MoleculeStamp.hpp, types/TorsionStamp.hpp, utils/Tuple.hpp:
-+
+        adding more checking for topology
-+
-+
+-12-02 17:37  gezelter
-+
-+
+        * src/antlr/TokenStreamRewriteEngine.cpp: Spurious semicolon
-+
+        removal
-+
-+
+-12-02 17:37  gezelter
-+
-+
+        * src/config.h.in: We've made big changes.  This isn't 2.0 anymore.
-+
-+
+-12-02 17:37  gezelter
-+
-+
+        * samples/cutoff/: GB-Ar-max.md, GB-Ar-mix.md,
-+
+        GB-Ar-traditional.md, cutoff_test.md, gb.md, lj.md, max.md, mix.md,
-+
+        traditional.md: removing deprecated nAtoms and nComponents lines
-+
-+
+-12-02 15:34  tim
-+
-+
+        * src/selection/SelectionToken.cpp: adding SelectionToken.cpp
-+
-+
+-12-02 15:18  tim
-+
-+
+        * src/types/: FragmentStamp.cpp, FragmentStamp.hpp: Adding
-+
+        FragmentStamp
-+
-+
+-12-02 15:11  gezelter
-+
-+
+        * src/openbabel/: matrix3x3.cpp, matrix3x3.hpp: Errors are no
-+
+        longer thrown with consts (fixes compilation bug on the Mac).
-+
-+
+-12-02 15:10  gezelter
-+
-+
+        * src/integrators/VelocityVerletIntegrator.cpp: Got rid of spurious
-+
+        printing out of timestep
-+
-+
+-12-02 15:10  gezelter
-+
-+
+        * src/brains/ForceManager.cpp: Got rid of spurious printing out of
-+
+        junk
-+
-+
+-12-02 15:10  gezelter
-+
-+
+        * make/Makefile.in: Change build process for libOOPSE.a so that the
-+
+        libraries aren't unpacked.  libOOPSE.a is now made directly from
-+
+        the object files
-+
-+
+-12-02 15:09  gezelter
-+
-+
+        * configure, ac-tools/configure.in: added check for egrep (grep -E)
-+
+        needed for new build of libOOPSE.a
-+
-+
+-12-02 13:43  tim
-+
-+
+        * src/types/DataHolder.hpp: adding DataHolder
-+
-+
+-12-02 12:01  gezelter
-+
-+
+        * samples/cutoff/: GB-Ar-max.md, GB-Ar-mix.md,
-+
+        GB-Ar-traditional.md, gb-ar.in, gb.md: Added Gay-Berne / Argon test
-+
+        case for the cutoff policies
-+
-+
+-12-02 10:38  tim
-+
-+
+        * make/Makefile.in: update Makefile
-+
-+
+-12-02 10:38  tim
-+
-+
+        * src/: antlr/ANTLRException.hpp, antlr/ANTLRUtil.cpp,
-+
+        antlr/ANTLRUtil.hpp, antlr/AST.hpp, antlr/ASTArray.hpp,
-+
+        antlr/ASTFactory.cpp, antlr/ASTFactory.hpp, antlr/ASTNULLType.cpp,
-+
+        antlr/ASTNULLType.hpp, antlr/ASTPair.hpp, antlr/ASTRefCount.cpp,
-+
+        antlr/ASTRefCount.hpp, antlr/BaseAST.cpp, antlr/BaseAST.hpp,
-+
+        antlr/BitSet.cpp, antlr/BitSet.hpp, antlr/CharBuffer.cpp,
-+
+        antlr/CharBuffer.hpp, antlr/CharInputBuffer.hpp,
-+
+        antlr/CharScanner.cpp, antlr/CharScanner.hpp,
-+
+        antlr/CharStreamException.hpp, antlr/CharStreamIOException.hpp,
-+
+        antlr/CircularQueue.hpp, antlr/CommonAST.cpp, antlr/CommonAST.hpp,
-+
+        antlr/CommonASTWithHiddenTokens.cpp,
-+
+        antlr/CommonASTWithHiddenTokens.hpp,
-+
+        antlr/CommonHiddenStreamToken.cpp,
-+
+        antlr/CommonHiddenStreamToken.hpp, antlr/CommonToken.cpp,
-+
+        antlr/CommonToken.hpp, antlr/IOException.hpp,
-+
+        antlr/InputBuffer.cpp, antlr/InputBuffer.hpp, antlr/LLkParser.cpp,
-+
+        antlr/LLkParser.hpp, antlr/LexerSharedInputState.hpp,
-+
+        antlr/Makefile, antlr/MismatchedCharException.cpp,
-+
+        antlr/MismatchedCharException.hpp,
-+
+        antlr/MismatchedTokenException.cpp,
-+
+        antlr/MismatchedTokenException.hpp, antlr/NoViableAltException.cpp,
-+
+        antlr/NoViableAltException.hpp,
-+
+        antlr/NoViableAltForCharException.cpp,
-+
+        antlr/NoViableAltForCharException.hpp, antlr/Parser.cpp,
-+
+        antlr/Parser.hpp, antlr/ParserSharedInputState.hpp,
-+
+        antlr/RecognitionException.cpp, antlr/RecognitionException.hpp,
-+
+        antlr/RefCount.hpp, antlr/SemanticException.hpp, antlr/String.cpp,
-+
+        antlr/String.hpp, antlr/Token.cpp, antlr/Token.hpp,
-+
+        antlr/TokenBuffer.cpp, antlr/TokenBuffer.hpp,
-+
+        antlr/TokenRefCount.cpp, antlr/TokenRefCount.hpp,
-+
+        antlr/TokenStream.hpp, antlr/TokenStreamBasicFilter.cpp,
-+
+        antlr/TokenStreamBasicFilter.hpp, antlr/TokenStreamException.hpp,
-+
+        antlr/TokenStreamHiddenTokenFilter.cpp,
-+
+        antlr/TokenStreamHiddenTokenFilter.hpp,
-+
+        antlr/TokenStreamIOException.hpp,
-+
+        antlr/TokenStreamRecognitionException.hpp,
-+
+        antlr/TokenStreamRetryException.hpp,
-+
+        antlr/TokenStreamRewriteEngine.cpp,
-+
+        antlr/TokenStreamRewriteEngine.hpp, antlr/TokenStreamSelector.cpp,
-+
+        antlr/TokenStreamSelector.hpp, antlr/TokenWithIndex.hpp,
-+
+        antlr/TreeParser.cpp, antlr/TreeParser.hpp,
-+
+        antlr/TreeParserSharedInputState.hpp, antlr/config.hpp,
-+
+        applications/oopse/oopse.cpp, brains/ForceManager.cpp,
-+
+        brains/MoleculeCreator.cpp, brains/SimCreator.cpp,
-+
+        brains/SimCreator.hpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        constraints/ZconstraintForceManager.cpp,
-+
+        integrators/VelocityVerletIntegrator.cpp, io/BASS_interface.cpp,
-+
+        io/BASS_interface.h, io/BASS_parse.c, io/BASS_parse.h,
-+
+        io/BASSlex.l, io/BASSyacc.y, io/Globals.cpp, io/Globals.hpp,
-+
+        io/LinkedAssign.cpp, io/LinkedAssign.hpp, io/Makefile,
-+
+        io/ZConsReader.cpp, io/interface.c, io/make_nodes.c,
-+
+        io/make_nodes.h, io/mpiBASS.c, io/mpiBASS.h, io/node_list.h,
-+
+        io/parse_interface.h, io/parse_me.h, io/parse_tree.c,
-+
+        io/parse_tree.h, mdParser/FilenameObserver.cpp,
-+
+        mdParser/FilenameObserver.hpp, mdParser/MDLexer.cpp,
-+
+        mdParser/MDLexer.hpp, mdParser/MDParser.cpp, mdParser/MDParser.g,
-+
+        mdParser/MDParser.hpp, mdParser/MDTokenTypes.hpp,
-+
+        mdParser/MDTreeParser.cpp, mdParser/MDTreeParser.g,
-+
+        mdParser/MDTreeParser.hpp, mdParser/MDTreeParserTokenTypes.hpp,
-+
+        mdParser/Makefile, mdParser/SimplePreprocessor.hpp,
-+
+        openbabel/obconversion.cpp, openbabel/oopseformat.cpp,
-+
+        openbabel/xyzformat.cpp, primitives/RigidBody.cpp,
-+
+        selection/DistanceFinder.cpp, selection/DistanceFinder.hpp,
-+
+        selection/IndexFinder.cpp, selection/IndexFinder.hpp,
-+
+        selection/Makefile, selection/NameFinder.cpp,
-+
+        selection/NameFinder.hpp, selection/SelectionCompiler.hpp,
-+
+        selection/SelectionEvaluator.cpp, selection/SelectionEvaluator.hpp,
-+
+        selection/SelectionManager.hpp, selection/SelectionToken.hpp,
-+
+        selection/Token.cpp, selection/Token.hpp, selection/TokenMap.hpp,
-+
+        types/AtomStamp.cpp, types/AtomStamp.hpp, types/BendStamp.cpp,
-+
+        types/BendStamp.hpp, types/BondStamp.cpp, types/BondStamp.hpp,
-+
+        types/Component.cpp, types/Component.hpp,
-+
+        types/CutoffGroupStamp.cpp, types/CutoffGroupStamp.hpp,
-+
+        types/MakeStamps.cpp, types/MakeStamps.hpp, types/Makefile,
-+
+        types/MoleculeStamp.cpp, types/MoleculeStamp.hpp,
-+
+        types/RigidBodyStamp.cpp, types/RigidBodyStamp.hpp,
-+
+        types/TorsionStamp.cpp, types/TorsionStamp.hpp,
-+
+        types/ZconStamp.cpp, types/ZconStamp.hpp, types/ZconsStamp.cpp,
-+
+        types/ZconsStamp.hpp, utils/BitSet.cpp, utils/BitSet.hpp,
-+
+        utils/Makefile.in, utils/MoLocator.cpp, utils/OOPSEBitSet.cpp,
-+
+        utils/OOPSEBitSet.hpp, utils/StringTokenizer.cpp,
-+
+        utils/StringTokenizer.hpp, visitors/ZconsVisitor.cpp: End of the
-+
+        Link --> List Return of the Oject-Oriented replace yacc/lex parser
-+
+        with antlr parser
-+
-+
+-11-30 16:00  chuckv
-+
-+
+        * src/applications/staticProps/: RhoZ.cpp, RhoZ.hpp: Code to
-+
+        calculate rho(Z) to calculate density profiles for water slabs.
-+
-+
+-11-29 17:54  chuckv
-+
-+
+        * configure, ac-tools/configure.in: added checks for some functions
-+
+        to configure script
-+
-+
+-11-22 20:05  chuckv
-+
-+
+        * src/openbabel/: Makefile, atom.cpp, bond.cpp, obatom.cpp,
-+
+        obbond.cpp: Changed file names that conflict w/ oopse file name
-+
+        object files.
-+
-+
+-11-21 17:59  gezelter
-+
-+
+        * src/utils/residentMem.c: compilation bug
-+
-+
+-11-21 17:59  gezelter
-+
-+
+        * src/io/: ForceFieldOptions.hpp, Globals.cpp: parsing by filepp
-+
-+
+-11-21 17:59  gezelter
-+
-+
+        * src/brains/: SimInfo.cpp, SimInfo.hpp: Cutoff Mixing fixes
-+
-+
+-11-21 17:59  gezelter
-+
-+
+        * src/applications/atom2mdin/: Makefile, atom2mdin.cpp: compilation
-+
+        issue
-+
-+
+-11-21 17:58  gezelter
-+
-+
+        * src/UseTheForce/: ForceField.hpp, Makefile, doForces.F90,
-+
+        doForces_interface.F90, doForces_interface.h, fForceOptions.h,
-+
+        notifyCutoffs.F90, notifyCutoffs_interface.F90,
-+
+        notifyCutoffs_interface.h, DarkSide/LJ.F90,
-+
+        DarkSide/electrostatic.F90, DarkSide/gb.F90,
-+
+        DarkSide/suttonchen.F90: Cutoff mixing fixes have been made.
-+
-+
+-11-21 11:22  tim
-+
-+
+        * src/io/ParamConstraint.cpp: Adding  ParamConstraint.cpp
-+
-+
+-11-21 09:59  tim
-+
-+
+        * forceFields/: SMARTS_InteLigand_051110.txt, aromatic.txt,
-+
+        atomtyp.txt, bondtyp.txt, element.txt, extable.txt,
-+
+        isotope-small.txt, isotope.txt, patterns.txt, phmodel.txt,
-+
+        resdata.txt, torlib.txt, types.txt: adding openbabel data files
-+
-+
+-11-18 15:17  tim
-+
-+
+        * src/: applications/atom2mdin/Makefile, openbabel/oopseformat.cpp:
-+
+        adding support for soft linking
-+
-+
+-11-18 15:17  tim
-+
-+
+        * make/Makefile.in: Adding support for soft linking
-+
-+
+-11-18 12:50  gezelter
-+
-+
+        * make/Makefile.in: Adding linking stuff
-+
-+
+-11-18 11:38  tim
-+
-+
+        * make/Makefile.in, src/applications/atom2mdin/Makefile,
-+
+        src/applications/atom2mdin/atom2mdin.cpp,
-+
+        src/applications/mdinConverter/Makefile,
-+
+        src/applications/mdinConverter/mdinConverter.cpp,
-+
+        src/openbabel/oopseformat.cpp, src/openbabel/oopseformat.hpp:
-+
+        rename mdinConverter to atom2mdin
-+
-+
+-11-17 15:44  gezelter
-+
-+
+        * src/openbabel/obconversion.cpp: fixed a bug
-+
-+
+-11-17 15:39  gezelter
-+
-+
+        * configure: Adding some config checks for OpenBabel codes we are
-+
+        using
-+
-+
+-11-17 15:39  gezelter
-+
-+
+        * ac-tools/configure.in: Adding some checks for OpenBabel code
-+
-+
+-11-17 15:39  gezelter
-+
-+
+        * src/config.h.in: Unifying config.h stuff from OOPSE and OpenBabel
-+
-+
+-11-17 15:38  gezelter
-+
-+
+        * src/openbabel/: babelconfig.hpp, base.cpp, base.hpp, bitvec.hpp,
-+
+        bondtyper.cpp, config.h.in, config.hpp, data.cpp, data.hpp,
-+
+        fingerprint.cpp, generic.hpp, grid.hpp, matrix.hpp, mol.hpp,
-+
+        obconversion.hpp, oberror.cpp, oberror.hpp, obutil.cpp, obutil.hpp,
-+
+        patty.cpp, pdbformat.hpp, phmodel.cpp, povrayformat.hpp,
-+
+        residue.cpp, rotor.cpp, smilesformat.cpp, tokenst.cpp, typer.cpp:
-+
+        Unifying config.h stuff and making sure the OpenBabel codes can
-+
+        find our default (and environment variable) Force Field
-+
+        directories.
-+
-+
+-11-17 13:35  tim
-+
-+
+        * src/io/ForceFieldOptions.hpp: adding ForceFieldOptions
-+
-+
+-11-16 18:10  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/ForceField.hpp,
-+
+        brains/Exclude.cpp, brains/Exclude.hpp, brains/ForceManager.cpp,
-+
+        brains/ForceManager.hpp, brains/SimCreator.cpp, brains/SimInfo.cpp,
-+
+        integrators/VelocityVerletIntegrator.cpp, io/Globals.cpp,
-+
+        io/Globals.hpp, io/Makefile, io/OptionSectionParser.cpp,
-+
+        io/OptionSectionParser.hpp, io/ParamConstraint.hpp,
-+
+        io/SectionParser.hpp, io/SectionParserManager.cpp,
-+
+        io/TorsionTypesSectionParser.cpp, math/ChebyshevPolynomials.hpp,
-+
+        math/Makefile, math/Polynomial.hpp, primitives/Bend.cpp,
-+
+        primitives/Bend.hpp, primitives/GhostBend.cpp,
-+
+        primitives/GhostBend.hpp, primitives/GhostTorsion.cpp,
-+
+        primitives/GhostTorsion.hpp, primitives/Torsion.cpp,
-+
+        primitives/Torsion.hpp, primitives/UreyBradleyBend.cpp,
-+
+        primitives/UreyBradleyBend.hpp, types/CharmmTorsionType.cpp,
-+
+        types/CharmmTorsionType.hpp, types/CubicTorsionType.hpp,
-+
+        types/PolynomialTorsionType.hpp, types/QuarticTorsionType.hpp,
-+
+        types/TorsionType.hpp, utils/StringUtils.hpp: OptionSectionParser
-+
+        get compiled
-+
-+
+-11-16 16:37  chuckv
-+
-+
+        * src/: io/Globals.cpp, io/Globals.hpp, io/OptionSectionParser.cpp,
-+
+        io/OptionSectionParser.hpp, io/SCAtomTypesSectionParser.cpp,
-+
+        UseTheForce/SC_FF.cpp, utils/ParameterManager.hpp: ForceField
-+
+        optional parameters....
-+
-+
+-11-16 16:24  tim
-+
-+
+        * src/applications/mdinConverter/: Makefile, mdinConverter.cpp:
-+
+        adding mdinConverter
-+
-+
+-11-16 16:22  tim
-+
-+
+        * src/openbabel/: Makefile, amberformat.cpp, amberformat.hpp,
-+
+        fingerprint.hpp, fingerprintformat.cpp, fingerprintformat.hpp,
-+
+        gromos96format.cpp, gromos96format.hpp, oopseformat.cpp,
-+
+        oopseformat.hpp, pdbformat.cpp, pdbformat.hpp, povrayformat.cpp,
-+
+        povrayformat.hpp, smilesformat.cpp, smilesformat.hpp,
-+
+        tinkerformat.cpp, tinkerformat.hpp, xyzformat.cpp, xyzformat.hpp:
-+
+        adding more readers/writers
-+
-+
+-11-16 16:20  tim
-+
-+
+        * make/Makefile.in: adding openbabel
-+
-+
+-11-16 16:20  tim
-+
-+
+        * src/brains/: Register.cpp, Register.hpp: register openbabel
-+
+        readers/writers
-+
-+
+-11-16 14:57  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: included shifted
-+
+        potential self term
-+
-+
+-11-16 14:57  chrisfen
-+
-+
+        * samples/water/spce/spce.md: just some parameters
-+
-+
+-11-16 14:42  tim
-+
-+
+        * src/openbabel/: Makefile, aromatic.hpp, atom.cpp, atomtyp.hpp,
-+
+        babelconfig.hpp, base.cpp, base.hpp, bitvec.cpp, bitvec.hpp,
-+
+        bond.cpp, bondtyp.hpp, bondtyper.cpp, bondtyper.hpp, chains.cpp,
-+
+        chains.hpp, chiral.cpp, chiral.hpp, config.h.in, config.hpp,
-+
+        data.cpp, data.hpp, element.hpp, extable.hpp, fingerprint.cpp,
-+
+        fingerprint.hpp, generic.cpp, generic.hpp, grid.cpp, grid.hpp,
-+
+        isotope.hpp, kekulize.cpp, matrix.cpp, matrix.hpp, matrix3x3.cpp,
-+
+        matrix3x3.hpp, mol.cpp, mol.hpp, molchrg.cpp, molchrg.hpp,
-+
+        obconversion.cpp, obconversion.hpp, obconversion.lo, oberror.cpp,
-+
+        oberror.hpp, obiter.cpp, obiter.hpp, obmolecformat.hpp, obutil.cpp,
-+
+        obutil.hpp, oopseformat.cpp, parsmart.cpp, parsmart.hpp, patty.cpp,
-+
+        patty.hpp, pdbformat.cpp, phmodel.cpp, phmodel.hpp,
-+
+        phmodeldata.hpp, rand.cpp, reaction.hpp, resdata.hpp, residue.cpp,
-+
+        ring.cpp, ring.hpp, rotamer.cpp, rotamer.hpp, rotor.cpp, rotor.hpp,
-+
+        snprintf.c, snprintf.h, strncasecmp.c, tinkerformat.cpp,
-+
+        tokenst.cpp, torlib.hpp, transform.cpp, typer.cpp, typer.hpp,
-+
+        types.hpp, vector3.cpp, vector3.hpp, xyzformat.cpp, zipstream.hpp,
-+
+        zipstreamimpl.hpp: adding openbabel
-+
-+
+-11-15 14:42  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: removed unnecessary
-+
+        commented code
-+
-+
+-11-15 14:04  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: cleaned up the
-+
+        charge-charge interactions a bit...
-+
-+
+-11-15 14:03  chrisfen
-+
-+
+        * samples/water/spce/: spce.md, water.md: just playing
-+
-+
+-11-15 11:38  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: fixed a bug in the
-+
+        shifted_potential case
-+
-+
+-11-15 11:37  chrisfen
-+
-+
+        * samples/: argon/500.md, water/spce/spce.md, water/spce/water.md:
-+
+        just playing around - we need to refresh all the samples sometime
-+
+        soon...
-+
-+
+-11-15 11:18  chuckv
-+
-+
+        * src/UseTheForce/: SC_FF.cpp, DarkSide/suttonchen.F90: Made
-+
+        preforce calc public in suttonchen.
-+
-+
+-11-15 11:05  chuckv
-+
-+
+        * src/brains/: SimInfo.cpp, fSimulation.h: Sutton-Chen added to
-+
+        SimInfo
-+
-+
+-11-15 11:01  chuckv
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/fInteractionMap.h,
-+
+        DarkSide/simulation.F90: Added Sutton-Chen to force loop...
-+
-+
+-11-15 10:34  chuckv
-+
-+
+        * forceFields/Makefile: Added sutton-chen to makefile.
-+
-+
+-11-14 17:20  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/: suttonchen.F90,
-+
+        suttonchen_interface.h: Build Fixes for sutton-chen.
-+
-+
+-11-14 17:03  chuckv
-+
-+
+        * src/io/Makefile: Missed makefile for sutton-chen.
-+
-+
+-11-14 17:03  chuckv
-+
-+
+        * src/UseTheForce/: Makefile, DarkSide/Makefile,
-+
+        DarkSide/atype.F90, DarkSide/atype_interface.F90: Sutton-chen stuff
-+
-+
+-11-14 16:29  chuckv
-+
-+
+        * src/: UseTheForce/SC_FF.cpp, UseTheForce/SC_FF.hpp,
-+
+        io/SCAtomTypesSectionParser.cpp, io/SCAtomTypesSectionParser.hpp,
-+
+        UseTheForce/DarkSide/suttonchen.F90,
-+
+        UseTheForce/DarkSide/suttonchen_interface.F90,
-+
+        UseTheForce/DarkSide/suttonchen_interface.h, brains/Register.cpp,
-+
+        brains/fSimulation.h, types/AtomType.cpp, types/AtomType.hpp,
-+
+        types/AtomTypeProperties.h: Sutton-Chen almost done. Just need to
-+
+        fix do_forces to use Sutton-Chen.
-+
-+
+-11-11 12:21  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/: fSwitchingFunctionType.h,
-+
+        switcheroo_interface.F90, switcheroo_interface.h: Forgot to add
-+
+        some files
-+
-+
+-11-11 10:22  chrisfen
-+
-+
+        * src/: brains/SimInfo.cpp, brains/SimInfo.hpp, io/DumpWriter.cpp,
-+
+        io/Globals.cpp, io/Globals.hpp: added in a 5th order polynomial
-+
+        switching function option
-+
-+
+-11-11 10:21  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/: Makefile, switcheroo.F90: added in a
-+
+th order polynomial switching function
-+
-+
+-11-11 10:21  chrisfen
-+
-+
+        * samples/water/ssd/ssd.md: playing with switching functions again
-+
-+
+-11-11 10:21  chrisfen
-+
-+
+        * samples/argon/500.md: playing with switching functions
-+
-+
+-11-08 19:11  chuckv
-+
-+
+        * forceFields/: SuttonChen.QSC.frc, SuttonChen.SC.frc: Added force
-+
+        files for Sutton-Chen and Quantum Sutton-Chen
-+
-+
+-11-08 08:32  chrisfen
-+
-+
+        * src/io/: DumpReader.cpp, DumpReader.hpp, DumpWriter.cpp,
-+
+        DumpWriter.hpp, Globals.cpp, Globals.hpp: Added a keyword and
-+
+        ability to output forces and torques
-+
-+
+-11-08 08:32  chrisfen
-+
-+
+        * src/brains/: SimInfo.cpp, fSimulation.h: Added a keyword for
-+
+        output of forces and torques
-+
-+
+-11-08 08:31  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/: electrostatic.F90, simulation.F90:
-+
+        Working on shifted_force...
-+
-+
+-11-08 08:31  chrisfen
-+
-+
+        * samples/water/: spce/spce.md, ssde/ssde.md: Just testing...
-+
-+
+-11-03 18:22  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: removed a poorly
-+
+        commented section
-+
-+
+-11-03 18:12  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/electrostatic.F90,
-+
+        UseTheForce/DarkSide/fElectrostaticScreeningMethod.h,
-+
+        UseTheForce/DarkSide/fScreeningMethod.h, brains/SimInfo.cpp,
-+
+        io/Globals.cpp, io/Globals.hpp: improvements in shifted-force
-+
-+
+-11-03 18:11  chrisfen
-+
-+
+        * samples/water/spce/spce.md: mmm...  damped shifted force...
-+
-+
+-11-03 18:06  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/suttonchen.F90: More work on SC.
-+
-+
+-11-02 18:50  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/suttonchen.F90: More work on suttonchen.
-+
-+
+-11-02 16:01  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90:
-+
+        removed some test code
-+
-+
+-11-02 15:45  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/fScreeningMethod.h: forgot to add the
-+
+        screening method header
-+
-+
+-11-02 15:36  chrisfen
-+
-+
+        * src/brains/SimInfo.cpp: again, changing how we deal with
-+
+        summation and screening methods
-+
-+
+-11-02 15:36  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/electrostatic.F90,
-+
+        UseTheForce/DarkSide/electrostatic_interface.F90,
-+
+        UseTheForce/DarkSide/electrostatic_interface.h,
-+
+        UseTheForce/DarkSide/fElectrostaticSummationMethod.h,
-+
+        io/Globals.cpp, io/Globals.hpp: changing how we deal with summation
-+
+        and screening methods
-+
-+
+-11-02 15:35  chrisfen
-+
-+
+        * src/UseTheForce/doForces.F90: debug stuff for rf removed
-+
-+
+-11-01 18:32  chuckv
-+
-+
+        * src/: UseTheForce/DarkSide/atype.F90,
-+
+        UseTheForce/DarkSide/atype_interface.F90,
-+
+        UseTheForce/DarkSide/suttonchen.F90, types/AtomType.cpp,
-+
+        types/AtomTypeProperties.h: Added suppport to atypes for MEAM and
-+
+        sutton-chen
-+
-+
+-11-01 14:24  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90:
-+
+        removed some testing code...
-+
-+
+-11-01 14:14  chrisfen
-+
-+
+        * src/: brains/Register.cpp, brains/SimInfo.cpp,
-+
+        brains/fSimulation.h, integrators/IntegratorFactory.hpp,
-+
+        io/Globals.cpp: fixed a capitalization problem with NPT integrator
-+
+        initialization
-+
-+
+-11-01 14:13  chrisfen
-+
-+
+        * src/applications/oopse/oopse.cpp: nothing
-+
-+
+-11-01 14:09  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90,
-+
+        DarkSide/simulation.F90: still fixing up wolf...
-+
-+
+-11-01 13:29  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/: fInteractionMap.h, suttonchen.F90: In
-+
+        process of adding sutton-chen forcefield.
-+
-+
+-10-26 18:32  chrisfen
-+
-+
+        * src/brains/SimInfo.cpp: changed the default switching radius to
-+
+% of rcut
-+
-+
+-10-26 18:31  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: reaction field looks
-+
+        to be working now - for charges and dipoles alike
-+
-+
+-10-26 18:31  chrisfen
-+
-+
+        * src/UseTheForce/doForces.F90: reaction field looks to be working
-+
+        now
-+
-+
+-10-26 18:30  chrisfen
-+
-+
+        * samples/water/ssdrf/water.md: added a test molecule
-+
-+
+-10-26 18:30  chrisfen
-+
-+
+        * forceFields/DUFF2.frc: added a test atom type
-+
-+
+-10-24 09:06  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: added charge-dipole
-+
+        reaction field - don't know if it works...
-+
-+
+-10-23 16:08  chrisfen
-+
-+
+        * src/: UseTheForce/doForces.F90,
-+
+        UseTheForce/DarkSide/electrostatic.F90, primitives/RigidBody.cpp:
-+
+        streamlined reaction field for dipoles (now a good bit faster) and
-+
+        added reaction field for charges - still need to do charge-dipole
-+
+        RF
-+
-+
+-10-23 16:07  chrisfen
-+
-+
+        * samples/water/ssdrf/ssdrf.md: minor changes when testing reaction
-+
+        field
-+
-+
+-10-23 16:06  chrisfen
-+
-+
+        * samples/water/spce/spce.md: reaction field now works for charges
-+
-+
+-10-20 15:27  tim
-+
-+
+        * src/primitives/Torsion.cpp: Fix the other branch of force
-+
+        calculation in Torision.cpp
-+
-+
+-10-19 14:24  chrisfen
-+
-+
+        * src/: UseTheForce/doForces.F90,
-+
+        UseTheForce/DarkSide/electrostatic.F90,
-+
+        UseTheForce/DarkSide/simulation.F90, applications/oopse/oopse.cpp,
-+
+        brains/ForceManager.cpp, brains/SimInfo.cpp: Still had some globals
-+
+        toUpper problems - these changes should fix those...
-+
-+
+-10-19 14:23  chrisfen
-+
-+
+        * samples/water/ssdrf/ssdrf.md: nothing
-+
-+
+-10-19 12:03  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/gb.F90: fixed an MPI compilation bug in
-+
+        GayBerne
-+
-+
+-10-19 11:49  tim
-+
-+
+        * src/: UseTheForce/DarkSide/fInteractionMap.h,
-+
+        brains/ForceManager.cpp: fix an index mismathcing between c and
-+
+        fortran
-+
-+
+-10-18 18:03  gezelter
-+
-+
+        * samples/cutoff/: lj.md, max.md, mix.md, traditional.md: added
-+
+        samples for the cutoff methods that Yang Zheng has been working on
-+
-+
+-10-18 16:13  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/gb.F90: fixed gb/lj and gb/gb torques
-+
+        and a rotation matrix bug
-+
-+
+-10-18 16:13  gezelter
-+
-+
+        * samples/gbljtest/: 2gb.in, 2gb.md, gb.md, gb2lj1.in, gb2lj1.md,
-+
+        gbRotRoundY.in, gbRotRoundY.md, gbRotRoundZ.in, gbRotRoundZ.md:
-+
+        added a few GB test cases
-+
-+
+-10-18 16:13  gezelter
-+
-+
+        * forceFields/DUFF2.frc: Fixing GB parameters
-+
-+
+-10-18 13:36  kdaily
-+
-+
+        * forceFields/DUFF2.frc: Changed the parameters for the Gay-Berne
-+
+        type
-+
-+
+-10-18 10:01  chrisfen
-+
-+
+        * src/: UseTheForce/doForces.F90, UseTheForce/notifyCutoffs.F90,
-+
+        UseTheForce/DarkSide/Makefile,
-+
+        UseTheForce/DarkSide/electrostatic.F90,
-+
+        UseTheForce/DarkSide/electrostatic_interface.F90,
-+
+        UseTheForce/DarkSide/electrostatic_interface.h,
-+
+        UseTheForce/DarkSide/reactionField.F90, brains/SimInfo.cpp: merged
-+
+        reaction field with electrostatics.F90
-+
-+
+-10-17 18:13  tim
-+
-+
+        * src/: brains/ForceManager.cpp, brains/Stats.cpp,
-+
+        brains/Stats.hpp, integrators/VelocityVerletIntegrator.cpp,
-+
+        io/BASS_interface.h, io/Globals.cpp, io/StatWriter.cpp,
-+
+        io/StatWriter.hpp: Customized StatWriter is working
-+
-+
+-10-17 17:42  kdaily
-+
-+
+        * src/UseTheForce/DarkSide/gb.F90: using notation from Cleaver
-+
+        paper
-+
-+
+-10-17 16:47  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/gb.F90: bugtracking gb
-+
-+
+-10-17 14:24  tim
-+
-+
+        * src/io/ParamConstraint.hpp: Another bug fix
-+
-+
+-10-17 14:22  tim
-+
-+
+        * src/io/: Globals.hpp, ParamConstraint.hpp: fix some namespace
-+
+        issues in Globals
-+
-+
+-10-17 14:12  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/doForces.F90,
-+
+        UseTheForce/DarkSide/Makefile, UseTheForce/DarkSide/gb.F90,
-+
+        UseTheForce/DarkSide/gb_interface.F90,
-+
+        UseTheForce/DarkSide/gb_interface.h,
-+
+        io/GayBerneAtomTypesSectionParser.cpp,
-+
+        types/DirectionalAtomType.cpp, types/DirectionalAtomType.hpp:
-+
+        changing GB architecture
-+
-+
+-10-17 14:12  gezelter
-+
-+
+        * samples/gbljtest/: gbRotRoundX.in, gbRotRoundY.in,
-+
+        gbRotRoundZ.in: Adding samples for gb tests
-+
-+
+-10-16 22:06  tim
-+
-+
+        * src/io/: Globals.cpp, Globals.hpp: fix a seg fault when try copy
-+
+        a  string to event's err_msg, there are still tons of memory
-+
+        leaking problem in Globals
-+
-+
+-10-16 19:51  tim
-+
-+
+        * src/io/: Globals.cpp, Globals.hpp, ParamConstraint.hpp: Change
-+
+        error message in Globals
-+
-+
+-10-14 16:43  tim
-+
-+
+        * src/io/: Globals.cpp, ParamConstraint.hpp: Constraints for
-+
+        parameters are working now
-+
-+
+-10-14 11:43  gezelter
-+
-+
+        * samples/gbljtest/: gb.md, lj.md: Adding .md files for GB/LJ tests
-+
-+
+-10-14 11:05  gezelter
-+
-+
+        * samples/gbljtest/: gbRotRoundX.in, gbRotRoundX.md,
-+
+        gbRotRoundY.in, gbRotRoundY.md, gbRotRoundZ.in, gbRotRoundZ.md:
-+
+        Adding some Gay Berne tests
-+
-+
+-10-14 11:05  gezelter
-+
-+
+        * samples/cutoff/: cutoff_test.in, cutoff_test.md: Adding some
-+
+        cutoff tests
-+
-+
+-10-14 10:44  kdaily
-+
-+
+        * forceFields/DUFF2.frc, src/UseTheForce/DUFF.cpp,
-+
+        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/gb.F90,
-+
+        src/UseTheForce/DarkSide/gb_interface.F90,
-+
+        src/UseTheForce/DarkSide/gb_interface.h: Add parts for the GayBerne
-+
+        LJ
-+
-+
+-10-14 09:48  tim
-+
-+
+        * src/io/ParamConstraint.hpp: Adding Parameter Constraint class
-+
-+
+-10-14 09:18  chrisfen
-+
-+
+        * samples/thermoIntegration/liquid/ssde.md,
-+
+        samples/thermoIntegration/solid/ssde.md, src/io/Globals.cpp,
-+
+        src/restraints/Restraints.cpp: added default restraint spring
-+
+        constants into Globals
-+
-+
+-10-13 17:26  tim
-+
-+
+        * src/: applications/oopse/oopse.cpp, brains/ForceManager.cpp,
-+
+        brains/SimCreator.cpp, brains/SimInfo.cpp, brains/Snapshot.hpp,
-+
+        constraints/ZconstraintForceManager.cpp,
-+
+        integrators/Integrator.cpp, integrators/NPT.cpp,
-+
+        integrators/NVT.cpp, integrators/Velocitizer.cpp, io/Globals.cpp,
-+
+        io/Globals.hpp, io/ZConsReader.cpp, minimizers/Minimizer.cpp,
-+
+        minimizers/MinimizerParameterSet.cpp, restraints/Restraints.cpp,
-+
+        restraints/ThermoIntegrationForceManager.cpp,
-+
+        visitors/ZconsVisitor.cpp: rewrite Globals
-+
-+
+-10-12 16:57  chuckv
-+
-+
+        * src/brains/ForceManager.cpp: Fix to forceManager to pass
-+
+        potential array to fortran.
-+
-+
+-10-12 16:00  gezelter
-+
-+
+        * src/primitives/: DirectionalAtom.cpp, RigidBody.cpp: Don't
-+
+        remember what we did
-+
-+
+-10-12 16:00  gezelter
-+
-+
+        * src/UseTheForce/: doForces.F90, doForces_interface.F90,
-+
+        DarkSide/LJ.F90, DarkSide/eam.F90, DarkSide/fInteractionMap.h,
-+
+        DarkSide/force_globals.F90, DarkSide/gb.F90, DarkSide/shapes.F90,
-+
+        DarkSide/sticky.F90: simplifying long range potential array
-+
-+
+-10-12 16:00  gezelter
-+
-+
+        * samples/cutoff/: cutoff_test.in, cutoff_test.md: Testing new
-+
+        cutoff methods
-+
-+
+-10-12 16:00  gezelter
-+
-+
+        * forceFields/DUFF2.frc: Messing with 2-point water models
-+
-+
+-10-12 15:22  chuckv
-+
-+
+        * src/UseTheForce/doForces_interface.F90: Breaky, Breaky: c-fortran
-+
+        interface now expects an array for pot.
-+
-+
+-10-12 15:18  chuckv
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/gb.F90,
-+
+        DarkSide/shapes.F90, DarkSide/sticky.F90: More Change goodness for
-+
+        calculation of potential.
-+
-+
+-10-12 14:55  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: More changes to MPI potential
-+
+        calculations.
-+
-+
+-10-12 13:59  chuckv
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/LJ.F90,
-+
+        DarkSide/eam.F90, DarkSide/electrostatic.F90,
-+
+        DarkSide/fInteractionMap.h, DarkSide/force_globals.F90,
-+
+        DarkSide/gb.F90, DarkSide/shapes.F90, DarkSide/sticky.F90: Breaky
-+
+        Breaky: Add Support for seperating potential contributions.
-+
-+
+-10-11 17:00  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: Free some variables that weren't
-+
+        freed before.
-+
-+
+-10-11 16:59  chuckv
-+
-+
+        * src/applications/nanoRodBuilder/: Geometry.cpp, Geometry.hpp,
-+
+        GeometryCreator.hpp, GeometryFactory.cpp: Design change for nanoRod
-+
+        builder --twinned.
-+
-+
+-10-11 16:57  chuckv
-+
-+
+        * src/applications/nanoparticleBuilder/: nanoparticleBuilder.cpp,
-+
+        nanoparticleBuilder.ggo, nanoparticleBuilderCmd.c,
-+
+        nanoparticleBuilderCmd.h, sphericalNanoparticle.cpp,
-+
+        sphericalNanoparticle.hpp: Added code for nanoparticle builder to
-+
+        cvs.
-+
-+
+-10-10 16:34  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: Bug fix, undeclared local variable
-+
+        in MPI.
-+
-+
+-10-10 16:20  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: Fixed MPI bug with Row and Column
-+
+        indexing of groupToGtype. We now have two seperate maps
-+
+        groupToGtypeRow and groupToGypeCol. GroupToGtypeCol is a pointer
-+
+        that is set to groupToGtypeRow in the single processor version.
-+
-+
+-10-06 13:44  chrisfen
-+
-+
+        * samples/water/: dimer/water.md, spce/water.md, ssd/water.md,
-+
+        ssd-ion/water.md, ssde/water.md, ssdrf/water.md, tap/water.md,
-+
+        tip3p_ice/water.md, tip4p/water.md: fixing up the samples
-+
-+
+-10-05 16:12  tim
-+
-+
+        * src/primitives/RigidBody.cpp: There is still something wrong with
-+
+        inertia tensor projection
-+
-+
+-10-05 14:35  tim
-+
-+
+        * src/primitives/RigidBody.cpp: erase output of inertia tensor.
-+
+        There is still something wrong with current implementation.
-+
-+
+-10-05 14:34  tim
-+
-+
+        * src/brains/MoleculeCreator.cpp: fix a bug in creating
-+
+        cutoffGroup. When cutoffGroup is turned off, there is a mismatch
-+
+        between group and center of mass array
-+
-+
+-10-05 14:12  tim
-+
-+
+        * src/primitives/RigidBody.cpp: fix a bug in creating cutoffGroup.
-+
+        When cutoffGroup is turned off, there is a mismatch between group
-+
+        and center of mass array
-+
-+
+-10-04 14:34  chrisfen
-+
-+
+        * src/brains/: ForceManager.cpp, SimInfo.cpp: fixed an annoying
-+
+        mass ratio bug that results in simulation failure with massless
-+
+        particles
-+
-+
+-10-04 14:33  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: maybe some work on
-+
+        wolf
-+
-+
+-10-04 14:32  chrisfen
-+
-+
+        * samples/water/dimer/two.md, samples/water/dimer/water.md,
-+
+        samples/water/tip3p_ice/tp3.md, samples/water/tip3p_ice/water.md,
-+
+        samples/water/tip4p/tp4.md, src/UseTheForce/doForces.F90: just some
-+
+        random changes when testing
-+
-+
+-10-03 10:54  tim
-+
-+
+        * src/primitives/: DirectionalAtom.cpp, RigidBody.cpp: fix a bug in
-+
+        projecting the inertia tensor of directional atom in rigibody into
-+
+        rigidbody's body frame (previous commit is wrong)
-+
-+
+-10-03 09:31  tim
-+
-+
+        * src/primitives/RigidBody.cpp: fix a bug in projecting the inertia
-+
+        tensor of directional atom in rigibody into rigidbody's body frame
-+
-+
+-09-28 13:47  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: working on wolf
-+
-+
+-09-28 13:46  chrisfen
-+
-+
+        * samples/water/: dimer/cl.md, dimer/mix.md, dimer/mix2.md,
-+
+        dimer/ssd.md, dimer/tap.md, dimer/two.md, spce/spce.md, ssd/ssd.md,
-+
+        ssd-ion/ssdCl.md, ssde/ssde.md, tap/tap.md, tip3p_ice/tp3.md,
-+
+        tip4p/tp4.md: fixed some samples
-+
-+
+-09-28 13:46  chrisfen
-+
-+
+        * ChangeLog: updated
-+
-+
+-09-28 11:55  tim
-+
-+
+        * src/math/SquareMatrix3.hpp: using epsilon instead of 0.0 to avoid
-+
+        divergence in rotation matrix to quaternion transformation
-+
-+
+-09-28 11:32  gezelter
-+
-+
+        * src/primitives/RigidBody.cpp: Rotation matrix multiplication
-+
+        order error
-+
-+
+-09-28 11:32  gezelter
-+
-+
+        * src/io/DumpReader.cpp: tracking down quaternion bug
-+
-+
+-09-28 11:32  gezelter
-+
-+
+        * forceFields/DUFF2.frc: Added DIP atom types for 2-point water
-+
+        model
-+
-+
+-09-27 15:02  tim
-+
-+
+        * src/math/SquareMatrix3.hpp: fix a bug in convert rotation matrix
-+
+        to quaternion
-+
-+
+-09-26 13:38  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: Added define for ifc
-+
+so derfc is external. Other compilers should treat erfc as
-+
+        intrinsic.
-+
-+
+-09-26 12:07  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: Changed erfc to derfc
-+
+        and declared it to be external to fix issure with ifc7. Hopefully
-+
+        this will not cause a problem with other compilers where derfc is
-+
+        an intrinsic function.
-+
-+
+-09-26 11:42  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/simulation.F90: MPI fix for SimHasAtype
-+
+        in simulation module. We needed a seperate receive buffer.
-+
-+
+-09-26 10:58  chuckv
-+
-+
+        * src/: brains/SimInfo.cpp, io/Globals.cpp, io/Globals.hpp: Added
-+
+        support for skinThickness keyword to Globals.
-+
-+
+-09-26 10:56  tim
-+
-+
+        * src/io/DumpReader.cpp: fix a typo in DumpReader
-+
-+
+-09-26 09:27  chrisfen
-+
-+
+        * samples/: minimizer/tip4p_two.md,
-+
+        thermoIntegration/liquid/ssde.md, thermoIntegration/solid/ssde.md,
-+
+        water/dimer/cl.md, water/dimer/mix.md, water/dimer/mix2.md,
-+
+        water/dimer/ssd.md, water/dimer/tap.md, water/dimer/two.md,
-+
+        water/spce/spce.md, water/ssd/ssd.md, water/ssd-ion/ssdCl.md,
-+
+        water/ssde/ssde.md, water/tap/tap.md, water/tip3p_ice/tp3.md,
-+
+        water/tip4p/tp4.md: fixing up some samples
-+
-+
+-09-24 12:39  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: slowdown fixed - now
-+
+        roughly the same speed as the old version when using dipoles
-+
-+
+        energies are now exactly the same between the old version of OOPSE
-+
+        and this version
-+
-+
+-09-24 12:38  chrisfen
-+
-+
+        * samples/water/ssdrf/ssdrf.md: turned rf on
-+
-+
+-09-23 15:31  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: Fixed "dum-dum" where we ignore the
-+
+        skin thickness and hardcode listSkin to be 1.0. We now get listskin
-+
+        from skin. This will get fixed to where we can manually set skin
-+
+        thickness.
-+
-+
+-09-22 13:50  gezelter
-+
-+
+        * src/math/derfc.F90: added error function
-+
-+
+-09-21 19:08  chuckv
-+
-+
+        * src/integrators/Velocitizer.cpp: Removed print statement for
-+
+        angular momentum and inertia tensor from velocitizer.
-+
-+
+-09-21 19:04  chuckv
-+
-+
+        * src/integrators/Velocitizer.cpp: Removed print statements for
-+
+        remove angular momentum.
-+
-+
+-09-21 18:45  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/LJ.F90: Bug fix: If we are not using LJ
-+
+        (say we are using EAM), we probably shouldn't rebuild the LJ mixing
-+
+        map.
-+
-+
+-09-21 15:59  tim
-+
-+
+        * src/io/: DumpReader.cpp, DumpReader.hpp, DumpWriter.cpp:
-+
+        DumpReader using pure c++ io
-+
-+
+-09-21 12:20  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/LJ.F90: Fixed a
-+
+        defaultCutoff bug (HEMES!)
-+
-+
+-09-20 17:13  gezelter
-+
-+
+        * make/Makefile.in: libz additions
-+
-+
+-09-20 17:03  gezelter
-+
-+
+        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
-+
+        src/config.h.in: added check for zlib in configure
-+
-+
+-09-20 16:22  tim
-+
-+
+        * src/io/: DumpWriter.cpp, DumpWriter.hpp, Makefile, gzstream.cpp,
-+
+        gzstream.hpp, zipstream.hpp: adding zlib support for DumpWriter
-+
-+
+-09-20 11:22  tim
-+
-+
+        * test/io/: ZipstreamTestCase.cpp, ZipstreamTestCase.hpp: adding
-+
+        testcase for zipstream
-+
-+
+-09-20 10:41  tim
-+
-+
+        * src/io/zipstream.hpp: adding zipstream.hpp
-+
-+
+-09-20 10:34  chrisfen
-+
-+
+        * samples/: dipole/splitInWater.md, dipole/split_SSD.md,
-+
+        dipole/twoSplitDipole.md, minimizer/ssdEM.md,
-+
+        minimizer/tip4p_two.md, water/ssdrf/ssdrf.md, zcons/zconsFixed.md,
-+
+        zcons/zconsMoving.md: fixed up some sample md files
-+
-+
+-09-19 18:21  chrisfen
-+
-+
+        * ChangeLog, samples/water/ssdrf/ssdrf.md,
-+
+        src/UseTheForce/doForces.F90,
-+
+        src/UseTheForce/DarkSide/electrostatic.F90,
-+
+        src/UseTheForce/DarkSide/simulation.F90, src/brains/SimInfo.cpp,
-+
+        src/brains/fSimulation.h: Fixed bugs in reaction field, now it
-+
+        appears as though it really is working...
-+
-+
+-09-18 15:45  chrisfen
-+
-+
+        * ChangeLog, samples/water/ssdrf/ssdrf.md,
-+
+        src/UseTheForce/doForces.F90,
-+
+        src/UseTheForce/doForces_interface.F90,
-+
+        src/UseTheForce/doForces_interface.h,
-+
+        src/UseTheForce/DarkSide/electrostatic.F90,
-+
+        src/UseTheForce/DarkSide/electrostatic_interface.h,
-+
+        src/brains/SimInfo.cpp: reaction field seems to work now, still
-+
+        need to do some testing...
-+
-+
+-09-16 18:04  chuckv
-+
-+
+        * src/io/: Globals.cpp, Globals.hpp: Added keywords for compressed
-+
+        dump files.
-+
-+
+-09-16 16:07  chrisfen
-+
-+
+        * src/: UseTheForce/doForces_interface.F90,
-+
+        UseTheForce/doForces_interface.h, brains/SimInfo.cpp: xlf found a
-+
+        bug that ifc missed...
-+
-+
+-09-16 15:36  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90:
-+
+        fixing some summation method issues
-+
-+
+-09-16 14:35  chrisfen
-+
-+
+        * src/brains/SimInfo.cpp: fixed a capitalization error
-+
-+
+-09-16 14:34  chrisfen
-+
-+
+        * src/UseTheForce/: fElectrostaticSummationMethod.h,
-+
+        DarkSide/fElectrostaticSummationMethod.h: moved a header file
-+
+        around
-+
-+
+-09-16 14:00  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/electrostatic_interface.F90,
-+
+        brains/SimInfo.cpp, brains/SimInfo.hpp: it builds now, but there
-+
+        are known issues - particularly with reaction field...
-+
-+
+-09-16 11:07  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/electrostatic.F90, brains/SimInfo.cpp,
-+
+        io/Globals.cpp, io/Globals.hpp: some fixes but even more breaking
-+
+        (cutting out the old way to do reaction field)
-+
-+
+-09-15 17:05  gezelter
-+
-+
+        * src/UseTheForce/: doForces.F90, fCoulombicCorrection.h,
-+
+        fElectrostaticSummationMethod.h, DarkSide/electrostatic.F90,
-+
+        DarkSide/electrostatic_interface.F90,
-+
+        DarkSide/electrostatic_interface.h: Working on adding WOLF
-+
-+
+-09-15 14:17  tim
-+
-+
+        * src/io/DumpReader.cpp: Fix a bug in DumpReader in case readFrame
-+
+        is called without calling getNFrames
-+
-+
+-09-15 08:47  chrisfen
-+
-+
+        * src/UseTheForce/fCoulombicCorrection.h: forgot to add a header
-+
-+
+-09-14 21:48  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: Fixed bug where gtypeMaxCutoff was
-+
+        not initialized after creation. When maxval(gtypeMaxCutoff) was
-+
+        called, the largest random garbage value was returned from the
-+
+        array.
-+
-+
+-09-14 19:14  chrisfen
-+
-+
+        * src/: brains/SimInfo.cpp, brains/SimInfo.hpp, io/Globals.cpp,
-+
+        io/Globals.hpp: changes to include the coulombicCorrection selector
-+
-+
+-09-14 19:13  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/: Makefile, electrostatic.F90,
-+
+        reactionField.F90: added in the undamped wolf, in the process of
-+
+        doing the damped wolf
-+
-+
+-09-14 19:13  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, doForces_interface.F90,
-+
+        doForces_interface.h, notifyCutoffs.F90: some changes to activate
-+
+        the coulombicCorrection selector
-+
-+
+-09-14 19:11  chrisfen
-+
-+
+        * samples/water/dimer/: cl.in, cl.md, water.md: just some testing
-+
-+
+-09-14 19:11  chrisfen
-+
-+
+        * samples/argon/: 500.in, 500.md: Equilibrated the sample
-+
-+
+-09-14 19:10  chrisfen
-+
-+
+        * forceFields/DUFF2.frc: re-added Cl- and Na+
-+
-+
+-09-14 15:31  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/eam.F90: EAM now uses eamlist to lookup
-+
+        eamAtypes instead of assuming a 1-1 correspondence to atypes.
-+
-+
+-09-14 15:28  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: fix to put back calculation of r in
-+
+        do_prepair
-+
-+
+-09-14 14:02  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/LJ.F90: fixed a bug in the
-+
+        createMixingMap routine.  It should now set doShift correctly
-+
-+
+-09-07 17:44  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: Added nGroupsInRow for mpi build.
-+
-+
+-09-07 17:23  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/simParallel.F90: Added access to mpi
-+
+        logical variables
-+
-+
+-09-07 17:08  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: bugfix on the grouptype finding
-+
+        algorithm
-+
-+
+-09-07 15:46  gezelter
-+
-+
+        * src/: UseTheForce/doForces.F90,
-+
+        UseTheForce/doForces_interface.F90, UseTheForce/notifyCutoffs.F90,
-+
+        UseTheForce/notifyCutoffs_interface.F90,
-+
+        UseTheForce/notifyCutoffs_interface.h, brains/SimInfo.cpp,
-+
+        io/Globals.cpp, io/Globals.hpp: adding c-side interface to change
-+
+        cutoff Policy
-+
-+
+-09-07 14:18  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: Some bug hunting
-+
-+
+-09-07 14:18  gezelter
-+
-+
+        * samples/argon/argonNVT.md: Just a longer test
-+
-+
+-09-06 12:32  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: Added allocation for gtypeCutoffmap
-+
+        etc..
-+
-+
+-09-01 17:56  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: initialized atomTypeMaxCutoff(i) to
-+
+        zero
-+
-+
+-09-01 15:17  gezelter
-+
-+
+        * src/UseTheForce/: doForces.F90, doForces_interface.F90: wrote
-+
+        createGtypeCutoffMap
-+
-+
+-08-30 13:23  chrisfen
-+
-+
+        * src/: UseTheForce/doForces.F90,
-+
+        UseTheForce/doForces_interface.F90,
-+
+        UseTheForce/doForces_interface.h,
-+
+        UseTheForce/DarkSide/electrostatic.F90,
-+
+        UseTheForce/DarkSide/gb.F90, brains/SimInfo.cpp,
-+
+        brains/fSimulation.h, io/Globals.cpp, io/Globals.hpp: made some
-+
+        changes for implementing the wolf potential
-+
-+
+-08-26 17:39  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/eam.F90: updated getEAMCut
-+
-+
+-08-26 16:30  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/eam.F90,
-+
+        DarkSide/gb.F90, DarkSide/shapes.F90, DarkSide/sticky.F90: added
-+
+        some probably nonfunctional get*cut routines
-+
-+
+-08-26 15:34  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/eam.F90: Added eamType map to atid map.
-+
-+
+-08-26 11:36  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: fixing some of the problems in the
-+
+        interactionHash and gtypeCutoff routines
-+
-+
+-08-17 10:26  gezelter
-+
-+
+        * src/UseTheForce/: doForces.F90, fCutoffPolicy.h,
-+
+        DarkSide/simulation.F90: added fCutoffPolicy.h
-+
-+
+-08-11 16:04  gezelter
-+
-+
+        * src/UseTheForce/: doForces.F90, notifyCutoffs.F90: breakage in
-+
+        progress
-+
-+
+-08-10 14:17  gezelter
-+
-+
+        * src/primitives/StuntDouble.hpp: putting spaceballs back where
-+
+        they belong
-+
-+
+-08-09 17:33  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/LJ.F90: Complete rewrite of Lennard
-+
+        Jones module
-+
-+
+-08-09 17:33  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: Breaky Breaky BREAKY breaky breaky
-+
-+
+-08-09 14:40  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: In process of re-write for group
-+
+        based cutoff....
-+
-+
+-07-29 14:38  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: fixes in progress
-+
-+
+-07-29 12:34  tim
-+
-+
+        * src/UseTheForce/doForces.F90: fix a bug which does not update
-+
+        me_i and me_j correctly
-+
-+
+-07-28 17:12  chuckv
-+
-+
+        * src/UseTheForce/: doForces.F90, notifyCutoffs.F90: Changed
-+
+        cutoffs... Segfaults nicely now...
-+
-+
+-07-20 12:04  gezelter
-+
-+
+        * configure, ac-tools/aclocal.m4: fixed ACX_MPI to ignore some text
-+
+        error messages from pathscale compiler
-+
-+
+-07-13 11:48  tim
-+
-+
+        * src/applications/staticProps/DensityPlot.cpp: std::bind2nd is in
-+
+        <functional>
-+
-+
+-07-13 10:54  tim
-+
-+
+        * src/: UseTheForce/fSwitchingFunction.h,
-+
+        UseTheForce/mpiComponentPlan.h,
-+
+        UseTheForce/DarkSide/fInteractionMap.h, brains/fSimulation.h,
-+
+        io/BASS_interface.h, io/BASS_parse.c, io/BASS_parse.h,
-+
+        io/BASSlex.l, io/BASSyacc.y, io/interface.c, io/make_nodes.c,
-+
+        io/mpiBASS.c, io/mpiBASS.h, io/node_list.h, io/parse_tree.c,
-+
+        io/parse_tree.h, math/MatVec3.c, utils/residentMem.c,
-+
+        utils/simError.c, utils/simError.h: replace c++ style comment in c
-+
+        files
-+
-+
+-07-03 15:53  chuckv
-+
-+
+        * src/: UseTheForce/doForces.F90, UseTheForce/notifyCutoffs.F90,
-+
+        UseTheForce/DarkSide/simulation.F90, utils/oopseMPI.F90: Added
-+
+        subroutine to set cuttoff for Interaction map and function in
-+
+        simulation.F90 to determine if a particular atype is present in a
-+
+        simulation.
-+
-+
+-06-28 08:58  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: [no log message]
-+
-+
+-06-27 17:21  chuckv
-+
-+
+        * src/UseTheForce/doForces.F90: More breaking and destruction of
-+
+        force code. Does not build at this point...
-+
-+
+-06-27 16:01  gezelter
-+
-+
+        * src/: UseTheForce/doForces.F90, UseTheForce/DarkSide/atype.F90,
-+
+        UseTheForce/DarkSide/fInteractionMap.h,
-+
+        UseTheForce/DarkSide/interactions.F90, utils/definitions.F90:
-+
+        Breaky breaky!
-+
-+
+-06-20 11:03  gezelter
-+
-+
+        * samples/water/ssd/ssd.md,
-+
+        src/applications/staticProps/DensityPlot.cpp: fixed a bug and ran a
-+
+        simulation
-+
-+
+-06-13 13:25  tim
-+
-+
+        * src/: applications/staticProps/DensityPlot.cpp,
-+
+        applications/staticProps/DensityPlot.hpp,
-+
+        applications/staticProps/SCDOrderParameter.cpp,
-+
+        applications/staticProps/StaticProps.cpp,
-+
+        io/AtomTypesSectionParser.cpp: working version of DensityPlot
-+
-+
+-05-31 17:31  chuckv
-+
-+
+        * src/: brains/SimInfo.cpp, integrators/Velocitizer.cpp: Changes to
-+
+        remove angular momentum.
-+
-+
+-05-31 12:34  chuckv
-+
-+
+        * src/applications/nanoRodBuilder/nanorodBuilder.cpp: Fixed bug in
-+
+        typo in nanorodBuilder.
-+
-+
+-05-30 09:01  chuckv
-+
-+
+        * src/: applications/nanoRodBuilder/nanorodBuilder.cpp,
-+
+        brains/SimInfo.cpp, brains/SimInfo.hpp, brains/Stats.cpp,
-+
+        brains/Stats.hpp, integrators/Velocitizer.cpp,
-+
+        integrators/Velocitizer.hpp: Added method to remove system angular
-+
+        momentum to velocitizer and added method to calculate system
-+
+        angular momentum to siminfo.
-+
-+
+-05-29 16:16  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/: electrostatic.F90, sticky.F90: Removed
-+
+        balance from the Darkside (files)
-+
-+
+-05-29 16:15  chrisfen
-+
-+
+        * src/UseTheForce/doForces.F90: Removed balance from doForces
-+
-+
+-05-29 16:15  chrisfen
-+
-+
+        * samples/water/tap/: tap.in, tap.md: Updated tap sample
-+
-+
+-05-29 16:15  chrisfen
-+
-+
+        * samples/water/dimer/: Makefile, tap.in, tap.md: Included a tap
-+
+        dimer for testing purposes
-+
-+
+-05-29 16:14  chrisfen
-+
-+
+        * forceFields/DUFF2.frc: Re-entered the TIP4P-Ew water model. It
-+
+        was apparently wiped earlier this month...
-+
-+
+-05-29 16:13  chrisfen
-+
-+
+        * ChangeLog: ran make cvslog
-+
-+
+-05-28 19:16  tim
-+
-+
+        * src/visitors/: AtomNameVisitor.cpp, AtomNameVisitor.hpp: adding
-+
+        AtomNameVisitor
-+
-+
+-05-28 19:09  tim
-+
-+
+        * src/integrators/Integrator.cpp: dding resetIntegrator
-+
-+
+-05-28 19:06  tim
-+
-+
+        * src/integrators/: Integrator.cpp, Integrator.hpp, NPT.cpp,
-+
+        NPT.hpp, NPTi.cpp, NPTi.hpp, NVT.cpp, NVT.hpp,
-+
+        VelocityVerletIntegrator.cpp, VelocityVerletIntegrator.hpp: adding
-+
+        resetIntegrator
-+
-+
+-05-27 16:11  tim
-+
-+
+        * src/applications/staticProps/: DensityPlot.cpp, DensityPlot.hpp,
-+
+        Makefile, P2OrderParameter.cpp, SCDOrderParameter.cpp,
-+
+        SCDOrderParameter.hpp, StaticProps.cpp, StaticProps.ggo,
-+
+        StaticPropsCmd.c, StaticPropsCmd.h: adding DensityPlot into
-+
+        StaticProps
-+
-+
+-05-26 23:41  tim
-+
-+
+        * src/: applications/staticProps/Makefile,
-+
+        applications/staticProps/P2OrderParameter.cpp,
-+
+        applications/staticProps/P2OrderParameter.hpp,
-+
+        applications/staticProps/StaticProps.cpp,
-+
+        applications/staticProps/StaticProps.ggo,
-+
+        applications/staticProps/StaticPropsCmd.c,
-+
+        applications/staticProps/StaticPropsCmd.h, utils/StringUtils.cpp,
-+
+        utils/StringUtils.hpp: adding SCDOrderParameter into StaticProps
-+
-+
+-05-26 17:45  tim
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/dump2Xyz/Dump2XYZCmd.c,
-+
+        applications/dump2Xyz/Dump2XYZCmd.h,
-+
+        applications/staticProps/Makefile,
-+
+        applications/staticProps/P2OrderParameter.cpp,
-+
+        applications/staticProps/P2OrderParameter.hpp,
-+
+        applications/staticProps/RadialDistrFunc.cpp,
-+
+        applications/staticProps/RadialDistrFunc.hpp,
-+
+        applications/staticProps/StaticAnalyser.hpp,
-+
+        applications/staticProps/StaticProps.cpp,
-+
+        applications/staticProps/StaticProps.ggo,
-+
+        applications/staticProps/StaticPropsCmd.c,
-+
+        applications/staticProps/StaticPropsCmd.h, visitors/Makefile,
-+
+        visitors/OtherVisitor.cpp, visitors/OtherVisitor.hpp: adding
-+
+        AtomNameVisitor to convert atom name to its base name;
-+
+        wrappingvisitor now wrap back to the center of the mass; adding
-+
+        P2OrderParameter into StaticProps
-+
-+
+-05-22 16:36  chuckv
-+
-+
+        * src/: applications/nanoRodBuilder/Geometry.cpp,
-+
+        applications/nanoRodBuilder/GeometryBuilder.cpp,
-+
+        applications/nanoRodBuilder/GeometryFactory.cpp,
-+
+        applications/nanoRodBuilder/GeometryFactory.hpp,
-+
+        applications/nanoRodBuilder/nanorodBuilder.cpp,
-+
+        integrators/VelocityVerletIntegrator.cpp: Fix to print pressure
-+
+        tensor.
-+
-+
+-05-22 16:05  tim
-+
-+
+        * src/: brains/Stats.cpp, brains/Stats.hpp, brains/Thermo.cpp,
-+
+        integrators/VelocityVerletIntegrator.cpp, io/Globals.cpp,
-+
+        io/Globals.hpp, io/SectionParserManager.cpp: adding keyword
-+
+        printPressureTensor
-+
-+
+-05-20 14:27  tim
-+
-+
+        * src/integrators/NPrT.cpp: NPrT in progress
-+
-+
+-05-20 11:01  tim
-+
-+
+        * src/: integrators/NPrT.cpp, io/Globals.cpp,
-+
+        utils/OOPSEConstant.hpp: NPrT in progress
-+
-+
+-05-19 16:31  tim
-+
-+
+        * src/: brains/Thermo.cpp, brains/Thermo.hpp, integrators/NPAT.cpp,
-+
+        integrators/NPrT.cpp, integrators/NPrT.hpp, io/Globals.cpp,
-+
+        io/Globals.hpp: NPAT is working
-+
-+
+-05-19 10:49  tim
-+
-+
+        * src/: UseTheForce/DarkSide/LJ.F90, integrators/Makefile,
-+
+        integrators/NPrT.cpp, io/Globals.cpp: fix bug in NPAT and NPrT
-+
-+
+-05-18 23:28  tim
-+
-+
+        * src/: brains/Register.cpp, integrators/NPAT.cpp,
-+
+        integrators/NPAT.hpp, integrators/NPrT.cpp, integrators/NPrT.hpp,
-+
+        io/Globals.cpp, io/Globals.hpp: adding NPAT and NPrT integrators
-+
-+
+-05-18 14:06  chrisfen
-+
-+
+        * forceFields/DUFF2.frc, src/UseTheForce/DarkSide/sticky.F90: just
-+
+        some tap changes
-+
-+
+-05-18 13:31  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90,
-+
+        DarkSide/sticky.F90: Modifications to temper the dipolar strength
-+
+        in the first solvation shell for tap
-+
-+
+-05-18 07:35  chrisfen
-+
-+
+        * samples/water/tap/: tap.in, tap.md, water.md: added a tap example
-+
+        for testing purposes
-+
-+
+-05-17 17:35  chrisfen
-+
-+
+        * ChangeLog, forceFields/DUFF2.frc, samples/water/dimer/ssd.md,
-+
+        samples/water/dimer/water.md, src/UseTheForce/DUFF.cpp,
-+
+        src/UseTheForce/doForces.F90,
-+
+        src/UseTheForce/DarkSide/electrostatic.F90,
-+
+        src/UseTheForce/DarkSide/electrostatic_interface.F90,
-+
+        src/UseTheForce/DarkSide/sticky.F90: Modifications to tap.  Also
-+
+        correcting changes to the previous merge that were not caught
-+
-+
+-05-16 23:20  chuckv
-+
-+
+        * src/types/: DirectionalAtomType.cpp, DirectionalAtomType.hpp:
-+
+        Fixed merge issues between Kyle and Chris so OOPSE will actually
-+
+        build.
-+
-+
+-05-16 22:46  kdaily
-+
-+
+        * src/io/: GayBerneAtomTypesSectionParser.cpp,
-+
+        GayBerneAtomTypesSectionParser.hpp, Makefile: help
-+
-+
+-05-16 21:08  kdaily
-+
-+
+        * forceFields/DUFF2.frc, src/UseTheForce/doForces.F90,
-+
+        src/UseTheForce/DarkSide/gb.F90, src/io/Makefile,
-+
+        src/types/DirectionalAtomType.cpp,
-+
+        src/types/DirectionalAtomType.hpp: added gb
-+
-+
+-05-13 15:36  chrisfen
-+
-+
+        * forceFields/DUFF2.frc: Better tap
-+
-+
+-05-12 14:43  chrisfen
-+
-+
+        * forceFields/DUFF2.frc, samples/water/dimer/ssd.in,
-+
+        samples/water/dimer/ssd.md, src/UseTheForce/DarkSide/sticky.F90,
-+
+        src/applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        src/visitors/AtomVisitor.hpp: Couple of changes for TAP water.
-+
+        Need to parametrize.
-+
-+
+-05-11 18:15  chuckv
-+
-+
+        * src/: io/ShapeAtomTypesSectionParser.cpp,
-+
+        math/RealSphericalHarmonic.cpp, utils/CaseConversion.hpp: Fixed
-+
+        build issues under ifc7.
-+
-+
+-05-09 17:07  chuckv
-+
-+
+        * src/applications/nanoRodBuilder/Geometry.hpp: More geometry
-+
+        builder changes.
-+
-+
+-05-05 10:06  chrisfen
-+
-+
+        * forceFields/DUFF2.frc, samples/water/ssde/water.md: Changed SHED
-+
+        to TAP
-+
-+
+-05-05 09:47  chrisfen
-+
-+
+        * forceFields/DUFF2.frc, samples/water/ssde/ssde.md,
-+
+        samples/water/ssde/water.md, src/UseTheForce/DUFF.cpp,
-+
+        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/Makefile,
-+
+        src/UseTheForce/DarkSide/atype.F90,
-+
+        src/UseTheForce/DarkSide/atype_interface.F90,
-+
+        src/UseTheForce/DarkSide/simulation.F90,
-+
+        src/UseTheForce/DarkSide/sticky.F90, src/brains/SimInfo.cpp,
-+
+        src/brains/fSimulation.h, src/io/Makefile,
-+
+        src/io/StickyAtomTypesSectionParser.cpp,
-+
+        src/io/StickyPowerAtomTypesSectionParser.cpp,
-+
+        src/io/StickyPowerAtomTypesSectionParser.hpp,
-+
+        src/types/AtomType.cpp, src/types/AtomType.hpp,
-+
+        src/types/AtomTypeProperties.h, src/types/DirectionalAtomType.cpp,
-+
+        src/types/DirectionalAtomType.hpp: OOPSE setup for TAP water.  It's
-+
+        not parametrized, but OOPSE will now let me run it...
-+
-+
+-05-03 17:55  chuckv
-+
-+
+        * src/applications/nanoRodBuilder/: Geometry.cpp, Geometry.hpp,
-+
+        GeometryCreator.hpp, GeometryFactory.cpp, GeometryFactory.hpp:
-+
+        Adding support for generic geometry to nanorodbuilder.
-+
-+
+-05-03 12:55  chuckv
-+
-+
+        * src/applications/nanoRodBuilder/: GeometryBuilder.cpp,
-+
+        nanorodBuilder.cpp, nanorodBuilder.ggo, nanorodBuilderCmd.c,
-+
+        nanorodBuilderCmd.h: More changes to nanoRodBuilder....
-+
-+
+-04-29 14:16  gezelter
-+
-+
+        * make/Makefile.in: [no log message]
-+
-+
+-04-29 11:26  chrisfen
-+
-+
+        * forceFields/DUFF2.frc, samples/water/spce/water.md,
-+
+        samples/water/ssd/water.md, samples/water/ssd-ion/ssdCl.md,
-+
+        samples/water/ssd-ion/water.md, samples/water/ssde/water.md,
-+
+        samples/water/ssdrf/water.md, samples/water/tip3p_ice/water.md,
-+
+        samples/water/tip4p/water.md: Added TIP4P-Ew
-+
-+
+-04-27 19:24  chuckv
-+
-+
+        * src/applications/nanoRodBuilder/: GeometryBuilder.cpp,
-+
+        GeometryBuilder.hpp, nanorodBuilder.cpp, nanorodBuilder.ggo,
-+
+        nanorodBuilderCmd.c, nanorodBuilderCmd.h: Fixed issues with
-+
+        nanoRodBuilder....
-+
-+
+-04-27 15:13  chrisfen
-+
-+
+        * samples/shape/Shapes.frc, samples/shape/linear.shape,
-+
+        src/UseTheForce/DarkSide/atype.F90,
-+
+        src/UseTheForce/DarkSide/shapes.F90,
-+
+        src/UseTheForce/DarkSide/shapes_interface.F90,
-+
+        src/types/AtomType.cpp, src/types/ShapeAtomType.cpp: Got rid of
-+
+        write statements and am closer to a working shapes
-+
-+
+-04-22 16:57  chuckv
-+
-+
+        * src/utils/Predicate.hpp: Fixed gcc4 bug...
-+
-+
+-04-22 16:52  tim
-+
-+
+        * src/utils/: CaseConversion.hpp, Predicate.hpp, Trim.cpp,
-+
+        Trim.hpp: adding CharClassificationFunctor to fix the locale
-+
+        problem  of c++
-+
-+
+-04-21 09:12  chrisfen
-+
-+
+        * samples/shape/Shapes.frc, samples/shape/linear.in,
-+
+        samples/shape/linear.md, src/UseTheForce/ForceField.hpp,
-+
+        src/UseTheForce/ForceFieldFactory.hpp, src/UseTheForce/Makefile,
-+
+        src/UseTheForce/SHAPES_FF.cpp, src/UseTheForce/SHAPES_FF.hpp,
-+
+        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/atype.F90,
-+
+        src/UseTheForce/DarkSide/shapes.F90,
-+
+        src/UseTheForce/DarkSide/shapes_interface.F90,
-+
+        src/UseTheForce/DarkSide/shapes_interface.h,
-+
+        src/brains/Register.cpp, src/brains/SimCreator.cpp,
-+
+        src/io/Makefile, src/io/SectionParser.cpp,
-+
+        src/io/SectionParser.hpp, src/io/SectionParserManager.cpp,
-+
+        src/io/ShapeAtomTypesSectionParser.cpp,
-+
+        src/io/ShapeAtomTypesSectionParser.hpp, src/math/Makefile,
-+
+        src/types/AtomType.cpp, src/types/ShapeAtomType.cpp,
-+
+        src/types/ShapeAtomType.hpp: Shapes is limping along with a array
-+
+        bounds overwrite (I think...). At least the parser loads the
-+
+        forcefield fine...
-+
-+
+-04-18 10:44  chrisfen
-+
-+
+        * src/UseTheForce/Shapes_FF.cpp: axed because file causes havoc on
-+
+        Mac (capitalization confusion of filenames)
-+
-+
+-04-17 22:50  chrisfen
-+
-+
+        * src/: UseTheForce/SHAPES_FF.cpp, UseTheForce/SHAPES_FF.hpp,
-+
+        UseTheForce/Shapes_FF.cpp,
-+
+        io/DirectionalAtomTypesSectionParser.cpp,
-+
+        io/ShapeAtomTypesSectionParser.cpp,
-+
+        io/ShapeAtomTypesSectionParser.hpp: Working on the shapes parser...
-+
-+
+-04-15 17:43  gezelter
-+
-+
+        * README: gmake in case people forget
-+
-+
+-04-15 17:40  gezelter
-+
-+
+        * src/applications/oopse/oopse.cpp: fixed the spacing on the
-+
+        banner.  Vanity.
-+
-+
+-04-15 17:22  gezelter
-+
-+
+        * src/: config.h.in, applications/oopse/oopse.cpp: Version string
-+
+        in banner (and version numbers in config.h)
-+
-+
+-04-15 17:22  gezelter
-+
-+
+        * ChangeLog, LICENSE, README: Documentation changes
-+
-+
+-04-15 17:03  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
-+
+        UseTheForce/EAM_FF.cpp, UseTheForce/EAM_FF.hpp,
-+
+        UseTheForce/ForceField.cpp, UseTheForce/ForceField.hpp,
-+
+        UseTheForce/ForceFieldCreator.hpp,
-+
+        UseTheForce/ForceFieldFactory.cpp,
-+
+        UseTheForce/ForceFieldFactory.hpp, UseTheForce/Shapes_FF.cpp,
-+
+        UseTheForce/doForces.F90, UseTheForce/doForces_interface.F90,
-+
+        UseTheForce/doForces_interface.h, UseTheForce/mpiComponentPlan.h,
-+
+        UseTheForce/notifyCutoffs.F90,
-+
+        UseTheForce/notifyCutoffs_interface.F90,
-+
+        UseTheForce/notifyCutoffs_interface.h, UseTheForce/DarkSide/LJ.F90,
-+
+        UseTheForce/DarkSide/atype.F90,
-+
+        UseTheForce/DarkSide/atype_interface.F90,
-+
+        UseTheForce/DarkSide/eam.F90,
-+
+        UseTheForce/DarkSide/eam_interface.F90,
-+
+        UseTheForce/DarkSide/eam_interface.h,
-+
+        UseTheForce/DarkSide/electrostatic.F90,
-+
+        UseTheForce/DarkSide/electrostatic_interface.F90,
-+
+        UseTheForce/DarkSide/electrostatic_interface.h,
-+
+        UseTheForce/DarkSide/force_globals.F90,
-+
+        UseTheForce/DarkSide/gb.F90, UseTheForce/DarkSide/gb_interface.h,
-+
+        UseTheForce/DarkSide/lj_interface.F90,
-+
+        UseTheForce/DarkSide/lj_interface.h,
-+
+        UseTheForce/DarkSide/neighborLists.F90,
-+
+        UseTheForce/DarkSide/reactionField.F90,
-+
+        UseTheForce/DarkSide/shapes.F90,
-+
+        UseTheForce/DarkSide/shapes_interface.F90,
-+
+        UseTheForce/DarkSide/shapes_interface.h,
-+
+        UseTheForce/DarkSide/simParallel.F90,
-+
+        UseTheForce/DarkSide/simParallel_interface.F90,
-+
+        UseTheForce/DarkSide/simParallel_interface.h,
-+
+        UseTheForce/DarkSide/simulation.F90,
-+
+        UseTheForce/DarkSide/simulation_interface.F90,
-+
+        UseTheForce/DarkSide/simulation_interface.h,
-+
+        UseTheForce/DarkSide/sticky.F90,
-+
+        UseTheForce/DarkSide/sticky_interface.F90,
-+
+        UseTheForce/DarkSide/sticky_interface.h,
-+
+        UseTheForce/DarkSide/switcheroo.F90,
-+
+        applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/dump2Xyz/Dump2XYZCmd.c,
-+
+        applications/dump2Xyz/Dump2XYZCmd.h,
-+
+        applications/dynamicProps/CrossTimeCorrFunc.cpp,
-+
+        applications/dynamicProps/CrossTimeCorrFunc.hpp,
-+
+        applications/dynamicProps/DipoleCorrFunc.cpp,
-+
+        applications/dynamicProps/DipoleCorrFunc.hpp,
-+
+        applications/dynamicProps/DynamicProps.cpp,
-+
+        applications/dynamicProps/DynamicPropsCmd.c,
-+
+        applications/dynamicProps/DynamicPropsCmd.h,
-+
+        applications/dynamicProps/FrameTimeCorrFunc.hpp,
-+
+        applications/dynamicProps/ParticleTimeCorrFunc.cpp,
-+
+        applications/dynamicProps/ParticleTimeCorrFunc.hpp,
-+
+        applications/dynamicProps/RCorrFunc.cpp,
-+
+        applications/dynamicProps/RCorrFunc.hpp,
-+
+        applications/dynamicProps/TimeCorrFunc.cpp,
-+
+        applications/dynamicProps/TimeCorrFunc.hpp,
-+
+        applications/dynamicProps/VCorrFunc.cpp,
-+
+        applications/dynamicProps/VCorrFunc.hpp,
-+
+        applications/nanoRodBuilder/GeometryBuilder.cpp,
-+
+        applications/nanoRodBuilder/GeometryBuilder.hpp,
-+
+        applications/nanoRodBuilder/nanorodBuilder.cpp,
-+
+        applications/nanoRodBuilder/nanorodBuilderCmd.c,
-+
+        applications/nanoRodBuilder/nanorodBuilderCmd.h,
-+
+        applications/oopse/oopse.cpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp,
-+
+        applications/simpleBuilder/simpleBuilderCmd.c,
-+
+        applications/simpleBuilder/simpleBuilderCmd.h,
-+
+        applications/staticProps/GofAngle2.cpp,
-+
+        applications/staticProps/GofAngle2.hpp,
-+
+        applications/staticProps/GofR.cpp,
-+
+        applications/staticProps/GofR.hpp,
-+
+        applications/staticProps/GofRAngle.cpp,
-+
+        applications/staticProps/GofRAngle.hpp,
-+
+        applications/staticProps/GofXyz.cpp,
-+
+        applications/staticProps/GofXyz.hpp,
-+
+        applications/staticProps/RadialDistrFunc.cpp,
-+
+        applications/staticProps/RadialDistrFunc.hpp,
-+
+        applications/staticProps/StaticProps.cpp,
-+
+        applications/staticProps/StaticPropsCmd.c,
-+
+        applications/staticProps/StaticPropsCmd.h,
-+
+        brains/BlockSnapshotManager.cpp, brains/BlockSnapshotManager.hpp,
-+
+        brains/DataStorage.cpp, brains/DataStorage.hpp, brains/Exclude.cpp,
-+
+        brains/Exclude.hpp, brains/ForceManager.cpp,
-+
+        brains/ForceManager.hpp, brains/MoleculeCreator.cpp,
-+
+        brains/MoleculeCreator.hpp, brains/Register.cpp,
-+
+        brains/Register.hpp, brains/SimCreator.hpp, brains/SimInfo.cpp,
-+
+        brains/SimInfo.hpp, brains/SimSnapshotManager.cpp,
-+
+        brains/SimSnapshotManager.hpp, brains/Snapshot.cpp,
-+
+        brains/Snapshot.hpp, brains/SnapshotManager.hpp, brains/Stats.cpp,
-+
+        brains/Stats.hpp, brains/Thermo.cpp, brains/Thermo.hpp,
-+
+        brains/fSimulation.h, constraints/ConstraintElem.hpp,
-+
+        constraints/ConstraintPair.hpp, constraints/Rattle.cpp,
-+
+        constraints/Rattle.hpp, constraints/ZconsStruct.hpp,
-+
+        constraints/ZconstraintForceManager.cpp,
-+
+        constraints/ZconstraintForceManager.hpp, integrators/DLM.cpp,
-+
+        integrators/DLM.hpp, integrators/Integrator.cpp,
-+
+        integrators/Integrator.hpp, integrators/IntegratorCreator.hpp,
-+
+        integrators/IntegratorFactory.cpp,
-+
+        integrators/IntegratorFactory.hpp, integrators/NPT.cpp,
-+
+        integrators/NPT.hpp, integrators/NPTf.cpp, integrators/NPTf.hpp,
-+
+        integrators/NPTi.cpp, integrators/NPTi.hpp, integrators/NPTxyz.cpp,
-+
+        integrators/NPTxyz.hpp, integrators/NVE.cpp, integrators/NVE.hpp,
-+
+        integrators/NVT.cpp, integrators/NVT.hpp,
-+
+        integrators/RotationAlgorithm.hpp, integrators/Velocitizer.cpp,
-+
+        integrators/Velocitizer.hpp,
-+
+        integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp,
-+
+        io/AtomTypesSectionParser.cpp, io/AtomTypesSectionParser.hpp,
-+
+        io/BASS_interface.cpp, io/BASS_interface.h, io/BASS_parse.c,
-+
+        io/BASS_parse.h, io/BendTypesSectionParser.cpp,
-+
+        io/BendTypesSectionParser.hpp, io/BondTypesSectionParser.cpp,
-+
+        io/BondTypesSectionParser.hpp, io/ChargeAtomTypesSectionParser.cpp,
-+
+        io/ChargeAtomTypesSectionParser.hpp,
-+
+        io/DirectionalAtomTypesSectionParser.cpp,
-+
+        io/DirectionalAtomTypesSectionParser.hpp, io/DumpReader.cpp,
-+
+        io/DumpReader.hpp, io/DumpWriter.cpp, io/DumpWriter.hpp,
-+
+        io/EAMAtomTypesSectionParser.cpp, io/EAMAtomTypesSectionParser.hpp,
-+
+        io/Globals.cpp, io/Globals.hpp,
-+
+        io/LennardJonesAtomTypesSectionParser.cpp,
-+
+        io/LennardJonesAtomTypesSectionParser.hpp, io/LinkedAssign.cpp,
-+
+        io/LinkedAssign.hpp, io/MultipoleAtomTypesSectionParser.cpp,
-+
+        io/MultipoleAtomTypesSectionParser.hpp, io/RestReader.cpp,
-+
+        io/RestReader.hpp, io/RestWriter.cpp, io/RestWriter.hpp,
-+
+        io/SectionParser.cpp, io/SectionParser.hpp,
-+
+        io/SectionParserManager.cpp, io/SectionParserManager.hpp,
-+
+        io/StatWriter.cpp, io/StatWriter.hpp,
-+
+        io/StickyAtomTypesSectionParser.cpp,
-+
+        io/StickyAtomTypesSectionParser.hpp,
-+
+        io/TorsionTypesSectionParser.cpp, io/TorsionTypesSectionParser.hpp,
-+
+        io/ZConsReader.cpp, io/ZConsReader.hpp, io/ZConsWriter.cpp,
-+
+        io/ZConsWriter.hpp, io/basic_ifstrstream.hpp, io/basic_teebuf.hpp,
-+
+        io/interface.c, io/make_nodes.c, io/make_nodes.h, io/mpiBASS.c,
-+
+        io/mpiBASS.h, io/node_list.h, io/parse_interface.h, io/parse_me.h,
-+
+        io/parse_tree.c, io/parse_tree.h, lattice/CubicLattice.cpp,
-+
+        lattice/CubicLattice.hpp, lattice/FCCLattice.cpp,
-+
+        lattice/FCCLattice.hpp, lattice/Lattice.cpp, lattice/Lattice.hpp,
-+
+        lattice/LatticeCreator.hpp, lattice/LatticeFactory.cpp,
-+
+        lattice/LatticeFactory.hpp, math/ChebyshevPolynomials.cpp,
-+
+        math/ChebyshevPolynomials.hpp, math/MatVec3.c, math/MatVec3.h,
-+
+        math/MersenneTwister.hpp, math/ParallelRandNumGen.cpp,
-+
+        math/ParallelRandNumGen.hpp, math/Polynomial.hpp,
-+
+        math/Quaternion.hpp, math/RandNumGen.hpp,
-+
+        math/RealSphericalHarmonic.cpp, math/RealSphericalHarmonic.hpp,
-+
+        math/RectMatrix.hpp, math/SeqRandNumGen.cpp,
-+
+        math/SeqRandNumGen.hpp, math/SquareMatrix.hpp,
-+
+        math/SquareMatrix3.hpp, math/Vector.hpp, math/Vector3.hpp,
-+
+        minimizers/CGFamilyMinimizer.cpp, minimizers/CGFamilyMinimizer.hpp,
-+
+        minimizers/Minimizer.cpp, minimizers/Minimizer.hpp,
-+
+        minimizers/MinimizerCreator.hpp, minimizers/MinimizerFactory.cpp,
-+
+        minimizers/MinimizerFactory.hpp,
-+
+        minimizers/MinimizerParameterSet.cpp,
-+
+        minimizers/MinimizerParameterSet.hpp, minimizers/PRCG.cpp,
-+
+        minimizers/PRCG.hpp, minimizers/SDMinimizer.cpp,
-+
+        minimizers/SDMinimizer.hpp, primitives/Atom.cpp,
-+
+        primitives/Atom.hpp, primitives/Bend.cpp, primitives/Bend.hpp,
-+
+        primitives/Bond.hpp, primitives/CutoffGroup.hpp,
-+
+        primitives/DirectionalAtom.cpp, primitives/DirectionalAtom.hpp,
-+
+        primitives/GhostBend.cpp, primitives/GhostBend.hpp,
-+
+        primitives/GhostTorsion.cpp, primitives/GhostTorsion.hpp,
-+
+        primitives/Molecule.cpp, primitives/Molecule.hpp,
-+
+        primitives/RigidBody.cpp, primitives/RigidBody.hpp,
-+
+        primitives/StuntDouble.cpp, primitives/StuntDouble.hpp,
-+
+        primitives/Torsion.cpp, primitives/Torsion.hpp,
-+
+        primitives/UreyBradleyBend.cpp, primitives/UreyBradleyBend.hpp,
-+
+        profiling/mdProfile.cpp, profiling/mdProfile.hpp,
-+
+        profiling/timing.F90, restraints/Restraints.cpp,
-+
+        restraints/Restraints.hpp,
-+
+        restraints/ThermoIntegrationForceManager.cpp,
-+
+        restraints/ThermoIntegrationForceManager.hpp,
-+
+        selection/DistanceFinder.cpp, selection/DistanceFinder.hpp,
-+
+        selection/IndexFinder.cpp, selection/IndexFinder.hpp,
-+
+        selection/NameFinder.cpp, selection/NameFinder.hpp,
-+
+        selection/SelectionCompiler.cpp, selection/SelectionCompiler.hpp,
-+
+        selection/SelectionEvaluator.cpp, selection/SelectionEvaluator.hpp,
-+
+        selection/SelectionManager.cpp, selection/SelectionManager.hpp,
-+
+        selection/Token.cpp, selection/Token.hpp, selection/TokenMap.cpp,
-+
+        selection/TokenMap.hpp, types/AtomStamp.cpp, types/AtomStamp.hpp,
-+
+        types/AtomType.cpp, types/AtomType.hpp, types/AtomTypeProperties.h,
-+
+        types/BendStamp.cpp, types/BendStamp.hpp, types/BendType.hpp,
-+
+        types/BondStamp.cpp, types/BondStamp.hpp, types/BondType.hpp,
-+
+        types/CharmmTorsionType.cpp, types/CharmmTorsionType.hpp,
-+
+        types/Component.cpp, types/Component.hpp, types/CubicBendType.hpp,
-+
+        types/CubicBondType.hpp, types/CubicTorsionType.hpp,
-+
+        types/CutoffGroupStamp.cpp, types/CutoffGroupStamp.hpp,
-+
+        types/DirectionalAtomType.hpp, types/FixedBondType.hpp,
-+
+        types/HarmonicBendType.hpp, types/HarmonicBondType.hpp,
-+
+        types/MakeStamps.cpp, types/MakeStamps.hpp,
-+
+        types/MoleculeStamp.cpp, types/MoleculeStamp.hpp,
-+
+        types/MorseBondType.hpp, types/OplsTorsionType.hpp,
-+
+        types/PolynomialBendType.hpp, types/PolynomialBondType.hpp,
-+
+        types/PolynomialTorsionType.hpp, types/QuarticBendType.hpp,
-+
+        types/QuarticBondType.hpp, types/QuarticTorsionType.hpp,
-+
+        types/RigidBodyStamp.cpp, types/RigidBodyStamp.hpp,
-+
+        types/ShapeAtomType.cpp, types/ShapeAtomType.hpp,
-+
+        types/TorsionStamp.cpp, types/TorsionStamp.hpp,
-+
+        types/TorsionType.hpp, types/UreyBradleyBendType.hpp,
-+
+        types/ZconStamp.cpp, types/ZconStamp.hpp, utils/Algorithm.hpp,
-+
+        utils/BitSet.cpp, utils/BitSet.hpp, utils/GenericData.hpp,
-+
+        utils/GenericFactory.hpp, utils/LocalIndexManager.hpp,
-+
+        utils/MemoryUtils.hpp, utils/MoLocator.cpp, utils/MoLocator.hpp,
-+
+        utils/NumericConstant.hpp, utils/OOPSEConstant.hpp,
-+
+        utils/PropertyMap.cpp, utils/PropertyMap.hpp,
-+
+        utils/StringTokenizer.cpp, utils/StringTokenizer.hpp,
-+
+        utils/StringUtils.hpp, utils/Trim.cpp, utils/Trim.hpp,
-+
+        utils/Tuple.hpp, utils/TupleMatcher.hpp, utils/TypeContainer.hpp,
-+
+        utils/TypeInfo.hpp, utils/Utility.cpp, utils/Utility.hpp,
-+
+        utils/any.hpp, utils/definitions.F90, utils/fError.c,
-+
+        utils/getopt.c, utils/getopt1.c, utils/gnugetopt.h,
-+
+        utils/next_combination.hpp, utils/oopseMPI.F90, utils/physmem.h,
-+
+        utils/residentMem.h, utils/simError.c, utils/simError.h,
-+
+        utils/status.F90, utils/vector_class.F90, utils/wildcards.hpp,
-+
+        visitors/AtomData.hpp, visitors/AtomVisitor.cpp,
-+
+        visitors/AtomVisitor.hpp, visitors/BaseVisitor.hpp,
-+
+        visitors/CompositeVisitor.cpp, visitors/CompositeVisitor.hpp,
-+
+        visitors/LipidTransVisitor.cpp, visitors/LipidTransVisitor.hpp,
-+
+        visitors/OtherVisitor.cpp, visitors/OtherVisitor.hpp,
-+
+        visitors/RigidBodyVisitor.cpp, visitors/RigidBodyVisitor.hpp,
-+
+        visitors/ZconsVisitor.cpp, visitors/ZconsVisitor.hpp: xemacs has
-+
+        been drafted to perform our indentation services
-+
-+
+-04-15 17:03  gezelter
-+
-+
+        * configure, ac-tools/configure.in: Jedi mind-trick warning
-+
+        messages have been added to make users ignore CGAL.
-+
-+
+-04-15 13:41  tim
-+
-+
+        * make/Makefile.in: fix make install
-+
-+
+-04-15 13:41  tim
-+
-+
+        * samples/: dipole/Makefile, shape/Makefile, water/dimer/Makefile:
-+
+        add  Makefile of samples
-+
-+
+-04-15 13:33  tim
-+
-+
+        * samples/: lipid/Makefile, water/dimer/Makefile,
-+
+        water/ssd-ion/Makefile, water/ssdrf/Makefile: some samples are not
-+
+        installed correctly
-+
-+
+-04-14 16:41  gezelter
-+
-+
+        * ChangeLog, configure, ac-tools/aclocal.m4, ac-tools/configure.in,
-+
+        make/Makefile.in, scripts/cvs2cl, scripts/cvs2cl.pl,
-+
+        scripts/filepp, scripts/filepp.in: configure now searches for perl
-+
+        to use with filepp
-+
-+
+-04-14 16:20  gezelter
-+
-+
+        * src/utils/MoLocator.cpp: Fixed a bug in RigidBodyStamp section of
-+
+        MoLocator
-+
-+
+-04-14 14:12  gezelter
-+
-+
+        * LICENSE: [no log message]
-+
-+
+-04-14 11:10  chuckv
-+
-+
+        * src/applications/nanoRodBuilder/nanorodBuilder.cpp:
-+
+        nanorodbuilder now exit's when libCGAL is not present.
-+
-+
+-04-14 10:20  tim
-+
-+
+        * src/io/make_nodes.h: fix one more warning message in make_nodes
-+
-+
+-04-13 18:36  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic_interface.F90: Changed
-+
+        interface name for SGI Compiler
-+
-+
+-04-13 18:29  chrisfen
-+
-+
+        * samples/water/ssde/ssde.md: oops...  bad sample
-+
-+
+-04-13 18:00  chuckv
-+
-+
+        * src/config.h.in: Change typo in CGAL.
-+
-+
+-04-13 17:43  tim
-+
-+
+        * src/: brains/SnapshotManager.hpp, primitives/Torsion.hpp,
-+
+        selection/SelectionCompiler.hpp: fix some warning messages
-+
-+
+-04-13 17:30  gezelter
-+
-+
+        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
-+
+        make/Makefile.in, src/config.h.in,
-+
+        src/applications/nanoRodBuilder/Makefile,
-+
+        src/applications/nanoRodBuilder/Makefile.in,
-+
+        src/applications/nanoRodBuilder/nanorodBuilder.cpp: added CGAL
-+
+        checks
-+
-+
+-04-13 15:36  chuckv
-+
-+
+        * src/UseTheForce/: DUFF.cpp, DUFF.hpp, Shapes_FF.cpp,
-+
+        DarkSide/LJ.F90, DarkSide/electrostatic.F90,
-+
+        DarkSide/electrostatic_interface.F90,
-+
+        DarkSide/electrostatic_interface.h, DarkSide/lj_interface.F90,
-+
+        DarkSide/lj_interface.h, DarkSide/sticky.F90,
-+
+        DarkSide/sticky_interface.F90, DarkSide/sticky_interface.h: Added
-+
+        destroy methods for Fortran modules.
-+
-+
+-04-13 15:17  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/: shapes.F90, shapes_interface.F90,
-+
+        shapes_interface.h: Added destroy method to clean up memory
-+
-+
+-04-13 13:41  tim
-+
-+
+        * src/: applications/nanoRodBuilder/nanorodBuilder.cpp,
-+
+        brains/SimCreator.cpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        io/make_nodes.c, io/parse_tree.c, primitives/Bend.hpp,
-+
+        primitives/Bond.hpp, primitives/Torsion.hpp, types/MakeStamps.cpp,
-+
+        types/MakeStamps.hpp, utils/MoLocator.cpp: more memory leak are
-+
+        fixed
-+
-+
+-04-12 17:44  chuckv
-+
-+
+        * src/applications/nanoRodBuilder/nanoBuilder.ggo: File not needed
-+
+        for nanoRodBuilder.
-+
-+
+-04-12 17:42  tim
-+
-+
+        * src/applications/: nanoRodBuilder/nanorodBuilder.cpp,
-+
+        simpleBuilder/simpleBuilder.cpp: fix memory leak in nanorodBuilder
-+
+        and simpleBuilder(forget to delete lattice)
-+
-+
+-04-12 17:33  tim
-+
-+
+        * src/: applications/nanoRodBuilder/nanorodBuilder.cpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp, brains/Register.cpp:
-+
+        refactory lattice
-+
-+
+-04-12 17:07  tim
-+
-+
+        * src/lattice/: BaseLattice.cpp, BaseLattice.hpp, CubicLattice.cpp,
-+
+        CubicLattice.hpp, FCCLattice.cpp, FCCLattice.hpp, Lattice.cpp,
-+
+        Lattice.hpp, Makefile, FCCLattice.hpp, Lattice.hpp: refactory
-+
+        LatticeFactory and LatticeCreator
-+
-+
+-04-12 16:58  tim
-+
-+
+        * src/: applications/nanoRodBuilder/nanorodBuilder.cpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp, brains/Register.cpp,
-+
+        brains/Register.hpp, lattice/Lattice.cpp, lattice/Lattice.hpp,
-+
+        lattice/LatticeCreator.cpp, lattice/LatticeCreator.hpp,
-+
+        lattice/LatticeFactory.cpp, lattice/LatticeFactory.hpp,
-+
+        lattice/Makefile: refactory LatticeFactory and LatticeCreator
-+
-+
+-04-12 16:28  gezelter
-+
-+
+        * src/utils/: Makefile.in, MoLocator.cpp, MoLocator.hpp,
-+
+        vector_class.F90: cleaned up vector_class memory leak fix by
-+
+        deallocating in reverse order of how we allocated.  Also migrated
-+
+        MoLocator into utils directory
-+
-+
+-04-12 16:27  gezelter
-+
-+
+        * src/lattice/: BaseLattice.cpp, BaseLattice.hpp, Lattice.cpp,
-+
+        Lattice.hpp, LatticeCreator.cpp, LatticeCreator.hpp,
-+
+        LatticeFactory.cpp, LatticeFactory.hpp, Makefile: added lattice
-+
+        directory
-+
-+
+-04-12 16:27  gezelter
-+
-+
+        * src/applications/: nanoRodBuilder/BaseLattice.cpp,
-+
+        nanoRodBuilder/BaseLattice.hpp, nanoRodBuilder/Lattice.cpp,
-+
+        nanoRodBuilder/Lattice.hpp, nanoRodBuilder/LatticeCreator.cpp,
-+
+        nanoRodBuilder/LatticeCreator.hpp,
-+
+        nanoRodBuilder/LatticeFactory.cpp,
-+
+        nanoRodBuilder/LatticeFactory.hpp, nanoRodBuilder/Makefile,
-+
+        nanoRodBuilder/MoLocator.cpp, nanoRodBuilder/MoLocator.hpp,
-+
+        nanoRodBuilder/nanorodBuilder.cpp, simpleBuilder/BaseLattice.cpp,
-+
+        simpleBuilder/BaseLattice.hpp, simpleBuilder/Lattice.cpp,
-+
+        simpleBuilder/Lattice.hpp, simpleBuilder/LatticeCreator.cpp,
-+
+        simpleBuilder/LatticeCreator.hpp, simpleBuilder/LatticeFactory.cpp,
-+
+        simpleBuilder/LatticeFactory.hpp, simpleBuilder/Makefile,
-+
+        simpleBuilder/MoLocator.cpp, simpleBuilder/MoLocator.hpp,
-+
+        simpleBuilder/simpleBuilder.cpp: added lattice directory, so all of
-+
+        these files are now redundant
-+
-+
+-04-12 16:27  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: atype_interface.F90,
-+
+        atype_interface.h: cleaned up memory leak fix
-+
-+
+-04-12 16:26  gezelter
-+
-+
+        * make/Makefile.in: added lattice subdirectory
-+
-+
+-04-12 15:57  chrisfen
-+
-+
+        * src/UseTheForce/Shapes_FF.cpp: no real changes here, maybe added
-+
+        a space by accident
-+
-+
+-04-12 15:56  chrisfen
-+
-+
+        * samples/water/ssd-ion/: ssdCl.in, ssdCl.md, water.md: added
-+
+        quadrupole sample
-+
-+
+-04-12 15:56  chrisfen
-+
-+
+        * samples/water/dimer/: cl.in, cl.md, cl2.in, cl2.md: updating
-+
+        samples
-+
-+
+-04-12 13:30  tim
-+
-+
+        * src/UseTheForce/: ForceField.cpp, ForceField.hpp: destory atom
-+
+        type in fortran side
-+
-+
+-04-12 12:45  chuckv
-+
-+
+        * src/utils/vector_class.F90: Further changes to vector_class
-+
+        destroy function.
-+
-+
+-04-12 12:39  chuckv
-+
-+
+        * src/utils/vector_class.F90: Fixed pointer memory leak in
-+
+        vector_class.
-+
-+
+-04-12 12:12  chuckv
-+
-+
+        * src/UseTheForce/: EAM_FF.cpp, EAM_FF.hpp,
-+
+        DarkSide/atype_interface.F90, DarkSide/atype_interface.h,
-+
+        DarkSide/eam.F90, DarkSide/eam_interface.F90,
-+
+        DarkSide/eam_interface.h: Updates to deallocate object in fortran.
-+
-+
+-04-12 09:24  chrisfen
-+
-+
+        * src/integrators/VelocityVerletIntegrator.cpp: minor change to TI
-+
+        output
-+
-+
+-04-11 19:29  chuckv
-+
-+
+        * src/: UseTheForce/DarkSide/atype.F90,
-+
+        applications/nanoRodBuilder/Makefile: Changes to delete atypes...
-+
-+
+-04-11 19:28  chuckv
-+
-+
+        * src/utils/vector_class.F90: Added code to delete vector.
-+
-+
+-04-11 16:58  tim
-+
-+
+        * src/io/basic_ifstrstream.hpp: avoid multiple inherit in
-+
+        basic_ifstrstream
-+
-+
+-04-11 16:37  chuckv
-+
-+
+        * make/Makefile.in,
-+
+        src/applications/nanoRodBuilder/BaseLattice.cpp,
-+
+        src/applications/nanoRodBuilder/BaseLattice.hpp,
-+
+        src/applications/nanoRodBuilder/GeometryBuilder.cpp,
-+
+        src/applications/nanoRodBuilder/GeometryBuilder.hpp,
-+
+        src/applications/nanoRodBuilder/Lattice.cpp,
-+
+        src/applications/nanoRodBuilder/Lattice.hpp,
-+
+        src/applications/nanoRodBuilder/LatticeCreator.cpp,
-+
+        src/applications/nanoRodBuilder/LatticeCreator.hpp,
-+
+        src/applications/nanoRodBuilder/LatticeFactory.cpp,
-+
+        src/applications/nanoRodBuilder/LatticeFactory.hpp,
-+
+        src/applications/nanoRodBuilder/Makefile,
-+
+        src/applications/nanoRodBuilder/MoLocator.cpp,
-+
+        src/applications/nanoRodBuilder/MoLocator.hpp,
-+
+        src/applications/nanoRodBuilder/nanoBuilder.ggo,
-+
+        src/applications/nanoRodBuilder/nanorodBuilder.cpp,
-+
+        src/applications/nanoRodBuilder/nanorodBuilder.ggo,
-+
+        src/applications/nanoRodBuilder/nanorodBuilderCmd.c,
-+
+        src/applications/nanoRodBuilder/nanorodBuilderCmd.h: Importing
-+
+        nanoRodBuilder application (may not work yet).  ((Doesn't work
-+
+        yet.)) (((May never work....)))
-+
-+
+-04-11 15:54  tim
-+
-+
+        * src/applications/dump2Xyz/Dump2XYZ.cpp: forget to delete
-+
+        prepareVisitor in Dump2XYZ
-+
-+
+-04-11 15:19  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: fixing of the
-+
+        quadrupoles.  look!  it's divide by 3 like stone says!
-+
-+
+-04-11 15:18  chrisfen
-+
-+
+        * forceFields/DUFF2.frc: fixing of the quadrupoles
-+
-+
+-04-11 15:16  tim
-+
-+
+        * src/selection/Token.hpp: change the parameter name in
-+
+        constructors
-+
-+
+-04-11 14:49  gezelter
-+
-+
+        * make/Makefile.in: One more bug fix for GNU make versions < 3.80
-+
-+
+-04-11 14:06  gezelter
-+
-+
+        * make/Makefile.in: Fixed the uc and lc functions for GNU make
-+
+        versions < 3.80
-+
-+
+-04-11 11:13  gezelter
-+
-+
+        * make/Makefile.in, src/UseTheForce/Makefile,
-+
+        src/UseTheForce/DarkSide/Makefile, src/utils/Makefile.in: added
-+
+        some stuff to clean out module files during "make clean"
-+
-+
+-04-08 17:13  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: quadrupole
-+
+        interactions should be working with a remaining question of
-+
+        interaction magnitude
-+
-+
+-04-08 17:12  chrisfen
-+
-+
+        * samples/water/dimer/: cl.in, cl.md, ssd.in, ssd.md: messing with
-+
+        samples
-+
-+
+-04-08 13:48  chrisfen
-+
-+
+        * samples/water/ssd/ssd.md: oops...  messed up a sample
-+
-+
+-04-08 09:43  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: Altered signs to fix
-+
+        charge-dipole interactions
-+
-+
+-04-08 09:42  chrisfen
-+
-+
+        * samples/water/: dimer/cl.in, dimer/cl.md, dimer/water.md,
-+
+        ssd/ssd.md, ssd/water.md: changes during debug of charge-dipole
-+
-+
+-04-08 09:41  chrisfen
-+
-+
+        * forceFields/DUFF2.frc: added Cl- and Na+
-+
-+
+-04-06 18:59  tim
-+
-+
+        * src/io/BASSlex.l: reinitialize buffer_stack_ptr in BASS parser
-+
-+
+-04-05 18:09  tim
-+
-+
+        * src/selection/: NameFinder.cpp, SelectionCompiler.cpp,
-+
+        SelectionCompiler.hpp, Token.hpp, TokenMap.cpp: support '+' and '-'
-+
+        in atom type name;clean the code a little bit
-+
-+
+-03-29 16:00  tim
-+
-+
+        * src/math/: ChebyshevPolynomials.cpp, SquareMatrix3.hpp: fix a bug
-+
+        in converting rotation matrix to quaternion
-+
-+
+-03-28 17:41  tim
-+
-+
+        * src/visitors/LipidTransVisitor.cpp: fixed the wrapping
-+
-+
+-03-28 17:30  tim
-+
-+
+        * src/visitors/LipidTransVisitor.cpp: LipidTranVisitor should do
-+
+        the wrapping
-+
-+
+-03-28 10:54  tim
-+
-+
+        * src/applications/staticProps/GofXyz.cpp: fix a bug in getting the
-+
+        dimension of histogram
-+
-+
+-03-22 11:38  tim
-+
-+
+        * make/Makefile.in, src/applications/dump2Xyz/Makefile,
-+
+        src/applications/dynamicProps/Makefile,
-+
+        src/applications/oopse/Makefile,
-+
+        src/applications/simpleBuilder/Makefile,
-+
+        src/applications/staticProps/Makefile: avoid building parallel
-+
+        executable for dump2XYZ, simpleBuilder, staticProps and
-+
+        dynamicProps
-+
-+
+-03-21 17:34  chrisfen
-+
-+
+        * forceFields/: DUFF2.frc, WATER.frc: Corrected changes to the
-+
+        forcefield files
-+
-+
+-03-21 15:51  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90,
-+
+        DarkSide/reactionField.F90: Make sure electrostatic_module provides
-+
+        data for reaction_field
-+
-+
+-03-21 15:50  chrisfen
-+
-+
+        * forceFields/: DUFF2.frc, WATER.frc: Chris debugging stuff.  HE
-+
+        WILL CHANGE THIS BACK, RIGHT?
-+
-+
+-03-21 14:23  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: constant back to
-+
+        correct value
-+
-+
+-03-21 14:22  gezelter
-+
-+
+        * make/Makefile.in: fixed an install-related bug.
-+
+        $(InstallCommand) had been set to $(InstallData)
-+
-+
+-03-15 09:21  gezelter
-+
-+
+        * src/integrators/Integrator.cpp: VelocityVerletIntegrator already
-+
+        deletes and Nullifies restWriter, so Integrator shouldn't do it.
-+
-+
+-03-15 09:20  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: fixed three typos
-+
-+
+-03-13 02:39  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: first run at
-+
+        charge-quadrupole interactions
-+
-+
+-03-12 14:12  chrisfen
-+
-+
+        * samples/: Makefile.in, thermoIntegration/liquid/Makefile,
-+
+        thermoIntegration/solid/Makefile: forgot a couple of makefiles
-+
-+
+-03-12 14:05  chrisfen
-+
-+
+        * samples/thermoIntegration/liquid/ssde.in,
-+
+        samples/thermoIntegration/liquid/ssde.md,
-+
+        samples/thermoIntegration/liquid/water.md,
-+
+        samples/thermoIntegration/solid/idealCrystal.in,
-+
+        samples/thermoIntegration/solid/ssde.in,
-+
+        samples/thermoIntegration/solid/ssde.md,
-+
+        samples/thermoIntegration/solid/ssde.zang0,
-+
+        samples/thermoIntegration/solid/water.md,
-+
+        samples/water/tip3p_ice/tp3.md,
-+
+        src/UseTheForce/DarkSide/sticky.F90,
-+
+        src/restraints/ThermoIntegrationForceManager.cpp: added some
-+
+        samples
-+
-+
+-03-11 12:50  tim
-+
-+
+        * src/: brains/SimCreator.cpp,
-+
+        io/MultipoleAtomTypesSectionParser.cpp: fix a typo in
-+
+        MultipoleAtomTypesSectionParser
-+
-+
+-03-11 10:55  tim
-+
-+
+        * src/brains/SimInfo.cpp: pairs inside cutoff group should not be
-+
+        excluded
-+
-+
+-03-11 10:53  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: settled on a unit for
-+
+        quadrupoles
-+
-+
+-03-11 10:52  gezelter
-+
-+
+        * forceFields/DUFF2.frc: quadrupoles for SSD models
-+
-+
+-03-11 10:00  tim
-+
-+
+        * ChangeLog, doc/SelectionExpression.html,
-+
+        doc/classoopse_1_1StuntDouble.png, doc/definition.jpg,
-+
+        doc/gofr.jpg, doc/gofrtheta.jpg, doc/heirarchy.png,
-+
+        src/brains/SimInfo.cpp, src/selection/SelectionEvaluator.cpp,
-+
+        src/selection/SelectionEvaluator.hpp, src/selection/Token.hpp,
-+
+        src/selection/TokenMap.cpp: clean up SimInfo; modify the images of
-+
+        SelectionExpression.html
-+
-+
+-03-10 19:43  chrisfen
-+
-+
+        * samples/water/ssde/ssde.md, samples/water/tip3p_ice/tp3.md,
-+
+        src/io/RestReader.cpp, src/restraints/Restraints.cpp,
-+
+        src/restraints/ThermoIntegrationForceManager.cpp: fixed a bug in
-+
+        MPI restraints
-+
-+
+-03-10 18:56  tim
-+
-+
+        * doc/SelectionExpression.html, src/brains/SimInfo.cpp,
-+
+        src/primitives/CutoffGroup.hpp: adding exclude pairs for rigidbody
-+
+        and cutoff group
-+
-+
+-03-10 17:06  gezelter
-+
-+
+        * src/types/MorseBondType.hpp: fixed a doxygen problem
-+
-+
+-03-10 16:51  gezelter
-+
-+
+        * samples/dipole/: split_SSD.md, twoSplitDipole.md: messing with
-+
+        the split dipole test cases
-+
-+
+-03-10 16:51  gezelter
-+
-+
+        * doc/SelectionExpression.html: updated some documentation
-+
-+
+-03-10 15:40  gezelter
-+
-+
+        * src/io/: Globals.hpp, LinkedCommand.cpp, LinkedCommand.hpp,
-+
+        Makefile: LinkedList removal project starts now
-+
-+
+-03-10 15:28  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        io/EAMAtomTypesSectionParser.cpp, io/Globals.cpp, io/Globals.hpp:
-+
+        using map to replace link list
-+
-+
+-03-10 14:11  tim
-+
-+
+        * samples/dipole/: splitInWater.in, splitInWater.md: adding test
-+
+        case  of split dipole
-+
-+
+-03-10 14:10  chrisfen
-+
-+
+        * samples/water/tip3p_ice/tp3.md, src/io/RestReader.cpp,
-+
+        src/io/RestWriter.cpp,
-+
+        src/restraints/ThermoIntegrationForceManager.cpp: Oops...  MPI now
-+
+        builds...
-+
-+
+-03-10 13:44  tim
-+
-+
+        * samples/dipole/: Lipid.frc, splitDipole.md, split_SSD.in,
-+
+        split_SSD.md, twoSplitDipole.in, twoSplitDipole.md, water.md:
-+
+        adding test case for split dipole
-+
-+
+-03-10 12:54  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/electrostatic.F90: added fortran-side
-+
+        support for split dipoles
-+
-+
+-03-10 11:27  chrisfen
-+
-+
+        * samples/water/tip3p_ice/tp3.md,
-+
+        src/restraints/ThermoIntegrationForceManager.cpp: fixes to
-+
+        restraints
-+
-+
+-03-10 11:15  chrisfen
-+
-+
+        * samples/water/tip3p_ice/tp3.md, src/UseTheForce/ForceFields.cpp,
-+
+        src/UseTheForce/ForceFields.hpp,
-+
+        src/restraints/ThermoIntegrationForceManager.cpp: fixing restraints
-+
-+
+-03-10 11:14  tim
-+
-+
+        * ChangeLog, doc/SelectionExpression.html, forceFields/DUFF2.frc,
-+
+        src/io/MultipoleAtomTypesSectionParser.cpp,
-+
+        src/selection/SelectionEvaluator.cpp: minor change
-+
-+
+-03-10 10:10  chrisfen
-+
-+
+        * make/Makefile.in, samples/water/tip3p_ice/tp3.md,
-+
+        src/brains/SimCreator.cpp, src/brains/SimInfo.hpp,
-+
+        src/integrators/Integrator.cpp, src/integrators/Integrator.hpp,
-+
+        src/integrators/VelocityVerletIntegrator.cpp,
-+
+        src/integrators/VelocityVerletIntegrator.hpp,
-+
+        src/io/DumpReader.cpp, src/io/Globals.cpp, src/io/Globals.hpp,
-+
+        src/io/Makefile, src/io/ReadWrite.hpp, src/io/RestReader.cpp,
-+
+        src/io/RestReader.hpp, src/io/RestWriter.cpp,
-+
+        src/io/RestWriter.hpp, src/io/RestraintReader.cpp,
-+
+        src/io/RestraintWriter.cpp, src/restraints/Makefile,
-+
+        src/restraints/Restraints.cpp, src/restraints/Restraints.hpp,
-+
+        src/restraints/ThermoIntegrationForceManager.cpp,
-+
+        src/restraints/ThermoIntegrationForceManager.hpp: First commit of
-+
+        the new restraints code
-+
-+
+-03-09 13:48  tim
-+
-+
+        * src/selection/: IndexFinder.cpp, IndexFinder.hpp: adding
-+
+        IndexFinder
-+
-+
+-03-09 13:46  tim
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.ggo,
-+
+        applications/dump2Xyz/Dump2XYZCmd.c,
-+
+        applications/dump2Xyz/Dump2XYZCmd.h,
-+
+        selection/SelectionCompiler.cpp, selection/SelectionEvaluator.cpp:
-+
+        fix compilation issue
-+
-+
+-03-09 12:58  tim
-+
-+
+        * forceFields/DUFF2.frc, scripts/filepp,
-+
+        src/UseTheForce/EAM_FF.cpp,
-+
+        src/io/MultipoleAtomTypesSectionParser.cpp,
-+
+        src/io/SectionParser.cpp, test/math/testRandNumGen.cpp: fix a bug
-+
+        in SectionParser (lineNo is not updated)
-+
-+
+-03-09 12:30  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/dump2Xyz/Dump2XYZ.ggo,
-+
+        applications/dump2Xyz/Dump2XYZCmd.c,
-+
+        applications/dump2Xyz/Dump2XYZCmd.h, brains/SimInfo.cpp,
-+
+        brains/SimInfo.hpp, io/ChargeAtomTypesSectionParser.cpp,
-+
+        io/ChargeAtomTypesSectionParser.hpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.hpp, io/Makefile,
-+
+        io/MultipoleAtomTypesSectionParser.cpp,
-+
+        io/MultipoleAtomTypesSectionParser.hpp,
-+
+        io/SectionParserManager.cpp, selection/Makefile,
-+
+        selection/SelectionEvaluator.cpp, selection/SelectionEvaluator.hpp,
-+
+        types/AtomType.cpp, types/DirectionalAtomType.cpp,
-+
+        visitors/AtomVisitor.cpp, visitors/OtherVisitor.cpp,
-+
+        visitors/OtherVisitor.hpp: adding IndexFinder which is used to
-+
+        select the molecules; Seperate ElectrostaticAtomTypesSectionParser
-+
+        into ChargeAtomTypesSectionParser and
-+
+        MultipoleAtomTypesSectionParser;remove print dipole option from
-+
+        Dump2XYZ;
-+
-+
+-03-09 12:28  tim
-+
-+
+        * forceFields/DUFF2.frc: change the format of DUFF2
-+
-+
+-03-09 10:44  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: electrostatic.F90,
-+
+        electrostatic_interface.F90, electrostatic_interface.h: new
-+
+        electrostatic module
-+
-+
+-03-09 09:26  gezelter
-+
-+
+        * src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h,
-+
+        DirectionalAtomType.cpp, DirectionalAtomType.hpp: added splitDipole
-+
+        and fixed quadrupole stuff
-+
-+
+-03-09 09:25  gezelter
-+
-+
+        * src/UseTheForce/: DUFF.cpp, EAM_FF.cpp: removed #include lines
-+
+        for outdated charge and dipole interfaces
-+
-+
+-03-08 16:08  gezelter
-+
-+
+        * samples/water/dimer/: cl.in, cl.md, cl2.in, cl2.md, mix.in,
-+
+        mix.md, mix2.in, mix2.md, ssd.in, ssd.md: addded a few fun
-+
+        charge-dipole test cases
-+
-+
+-03-08 16:07  gezelter
-+
-+
+        * src/visitors/: AtomData.hpp, AtomVisitor.cpp, OtherVisitor.cpp,
-+
+        OtherVisitor.hpp, RigidBodyVisitor.cpp, ZconsVisitor.cpp: fixing a
-+
+        strange icc8 bug (we think).
-+
-+
+-03-08 16:07  gezelter
-+
-+
+        * src/utils/: StringUtils.cpp, StringUtils.hpp: OOPSE_itoa!
-+
-+
+-03-08 16:07  gezelter
-+
-+
+        * src/types/: AtomType.cpp, DirectionalAtomType.cpp: Electrostatic
-+
+        Unification Project
-+
-+
+-03-08 16:07  gezelter
-+
-+
+        * src/io/Globals.cpp: Dunno
-+
-+
+-03-08 16:06  gezelter
-+
-+
+        * src/brains/: MoleculeCreator.cpp, SimCreator.cpp: Using
-+
+        OOPSE_itoa and checking a NULL left over from the LinkedList days
-+
-+
+-03-08 16:06  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90,
-+
+        atype_interface.F90, atype_interface.h, charge.F90,
-+
+        charge_interface.F90, charge_interface.h, dipole.F90,
-+
+        dipole_interface.F90, dipole_interface.h: electrostatic unification
-+
+        project fixed an uninitialized variable in Lennard Jones mixing map
-+
-+
+-03-08 16:05  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: electrostatic unification project
-+
-+
+-03-08 16:05  gezelter
-+
-+
+        * samples/water/dimer/: two.md, water.md: making some cool test
-+
+        cases
-+
-+
+-03-08 16:05  gezelter
-+
-+
+        * forceFields/DUFF2.frc: Added a charge for Chlorine
-+
-+
+-03-07 17:39  tim
-+
-+
+        * src/: brains/SimInfo.cpp, io/DumpReader.cpp,
-+
+        math/ParallelRandNumGen.cpp, math/ParallelRandNumGen.hpp,
-+
+        primitives/Molecule.cpp, utils/BitSet.cpp, utils/MemoryUtils.hpp:
-+
+        Fixing a bug in BitSet.cpp
-+
-+
+-03-04 10:28  gezelter
-+
-+
+        * src/config.h.in: Cleaning up config.h.in by adding comments
-+
-+
+-03-04 10:28  gezelter
-+
-+
+        * configure, ac-tools/configure.in, make/Makefile.in,
-+
+        src/brains/SimCreator.cpp: SPRNG eradication project
-+
-+
+-03-03 09:40  tim
-+
-+
+        * src/io/DumpWriter.cpp: avoid using const char*(hope can fixed the
-+
+        missing atom type problem)
-+
-+
+-03-02 11:29  tim
-+
-+
+        * src/math/RandNumGen.hpp: adding base class of Random Number
-+
+        generator
-+
-+
+-03-02 11:28  tim
-+
-+
+        * src/: brains/SimCreator.cpp, integrators/Velocitizer.cpp,
-+
+        math/ParallelRandNumGen.hpp, math/SeqRandNumGen.hpp: info_ in
-+
+        Velocitizer is not initialized which causes a seg fault
-+
-+
+-03-02 10:36  tim
-+
-+
+        * src/: brains/SimCreator.cpp, integrators/Velocitizer.cpp,
-+
+        integrators/Velocitizer.hpp, math/Makefile,
-+
+        math/MersenneTwister.hpp, math/ParallelRandNumGen.cpp,
-+
+        math/ParallelRandNumGen.hpp, math/SeqRandNumGen.cpp,
-+
+        math/SeqRandNumGen.hpp: remove default parameter from
-+
+        MersenneTwister.hpp which causes all kinds of trouble.  Refactory
-+
+        random number generator
-+
-+
+-03-02 02:32  tim
-+
-+
+        * test/math/testRandNumGen.cpp: Adding unit test for random number
-+
+        generator
-+
-+
+-03-01 18:17  tim
-+
-+
+        * src/brains/Thermo.hpp: fixed a file inclusion problem
-+
-+
+-03-01 18:17  tim
-+
-+
+        * test/math/: Makefile, OOPSERandNumGenTestCase.cpp,
-+
+        OOPSERandNumGenTestCase.hpp, ParallelandNumGenTestCase.cpp,
-+
+        ParallelandNumGenTestCase.hpp, RandNumGenTestCase.cpp,
-+
+        RandNumGenTestCase.hpp: fixed compilation problem
-+
-+
+-03-01 18:02  tim
-+
-+
+        * src/: brains/SimCreator.cpp, integrators/Velocitizer.cpp,
-+
+        integrators/Velocitizer.hpp, math/Makefile,
-+
+        math/OOPSERandNumGen.hpp, math/ParallelRandNumGen.cpp,
-+
+        math/ParallelRandNumGen.hpp, math/mt19937ar.c,
-+
+        math/randomSPRNG.cpp, math/randomSPRNG.hpp: replace SPRNG by MTRand
-+
-+
+-03-01 18:00  tim
-+
-+
+        * test/math/: Makefile, ParallelandNumGenTestCase.cpp,
-+
+        ParallelandNumGenTestCase.hpp: Change the name of test case
-+
-+
+-03-01 16:00  tim
-+
-+
+        * test/math/: Makefile, OOPSERandNumGenTestCase.cpp,
-+
+        OOPSERandNumGenTestCase.hpp: adding testcase for random number
-+
+        generator
-+
-+
+-03-01 15:10  tim
-+
-+
+        * src/: UseTheForce/ForceFieldCreator.hpp, brains/SimCreator.hpp,
-+
+        integrators/IntegratorCreator.hpp, math/MersenneTwister.hpp,
-+
+        math/Polynomial.hpp, math/Quaternion.hpp, math/RectMatrix.hpp,
-+
+        math/SquareMatrix.hpp, math/SquareMatrix3.hpp, math/Vector.hpp,
-+
+        math/Vector3.hpp, minimizers/MinimizerCreator.hpp,
-+
+        utils/BitSet.cpp, utils/BitSet.hpp, utils/GenericData.hpp,
-+
+        utils/TypeContainer.hpp, visitors/AtomVisitor.cpp,
-+
+        visitors/RigidBodyVisitor.cpp: fix compilation problem for g++ 3.4
-+
-+
+-03-01 14:11  tim
-+
-+
+        * src/: brains/SimCreator.cpp, brains/SimInfo.hpp,
-+
+        integrators/Velocitizer.cpp, integrators/Velocitizer.hpp,
-+
+        math/MersenneTwister.hpp, math/OOPSERandNumGen.hpp: adding
-+
+        OOPSERandNumGen
-+
-+
+-03-01 10:44  gezelter
-+
-+
+        * make/Makefile.in: Fixed the damned build problem with the
-+
+        libraries not being removed in make clean and make distclean (at
-+
+        least we think it is fixed).
-+
-+
+-03-01 10:26  gezelter
-+
-+
+        * src/math/MersenneTwister.hpp: Making small modifications to allow
-+
+        for use on MPI machines
-+
-+
+-03-01 09:45  tim
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp, brains/SimCreator.cpp,
-+
+        integrators/Velocitizer.cpp, io/DumpReader.cpp,
-+
+        math/MersenneTwister.hpp: adding MersenneTwister random number
-+
+        generator
-+
-+
+-02-28 22:55  tim
-+
-+
+        * src/math/MersenneTwister.hpp: Adding a modified version of
-+
+        MersenneTwister.hpp
-+
-+
+-02-28 12:24  tim
-+
-+
+        * doc/: SelectionExpression.html, classoopse_1_1StuntDouble.png,
-+
+        definition.jpg: selection expression
-+
-+
+-02-25 16:22  tim
-+
-+
+        * src/: UseTheForce/DarkSide/LJ.F90,
-+
+        UseTheForce/DarkSide/lj_interface.F90,
-+
+        UseTheForce/DarkSide/lj_interface.h,
-+
+        io/LennardJonesAtomTypesSectionParser.cpp, types/AtomType.cpp,
-+
+        types/AtomType.hpp: adding soft potential to LJ Module
-+
-+
+-02-25 11:38  tim
-+
-+
+        * doc/SelectionExpression.html: adding documentation for selection
-+
+        expression
-+
-+
+-02-24 15:55  tim
-+
-+
+        * src/: applications/simpleBuilder/simpleBuilder.cpp,
-+
+        integrators/VelocityVerletIntegrator.cpp, io/DumpWriter.cpp,
-+
+        io/DumpWriter.hpp, io/basic_teebuf.hpp, minimizers/Minimizer.cpp:
-+
+        adding basic_teebuf which can operate on multiple stream
-+
+        simutaneously.
-+
-+
+-02-22 14:26  chrisfen
-+
-+
+        * samples/water/ssdrf/: ssdrf.in, ssdrf.md, water.md: Added ssdrf
-+
+        sample
-+
-+
+-02-22 13:56  tim
-+
-+
+        * src/: UseTheForce/DarkSide/reactionField.F90,
-+
+        primitives/RigidBody.cpp: reactionfield get fixed
-+
-+
+-02-21 11:57  tim
-+
-+
+        * src/: applications/staticProps/GofRAngle.cpp,
-+
+        visitors/LipidTransVisitor.cpp, visitors/LipidTransVisitor.hpp: Fix
-+
+        a bug in GofRAngle
-+
-+
+-02-21 10:28  tim
-+
-+
+        * src/primitives/Molecule.cpp: Fix for compilation on the Sun
-+
-+
+-02-21 10:22  tim
-+
-+
+        * src/utils/next_combination.hpp: fix for compilation on the Sun
-+
-+
+-02-21 10:21  tim
-+
-+
+        * src/utils/GenericData.hpp: fix problem in sun
-+
-+
+-02-18 18:07  tim
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/dump2Xyz/Dump2XYZ.ggo,
-+
+        applications/dump2Xyz/Dump2XYZCmd.c,
-+
+        applications/dump2Xyz/Dump2XYZCmd.h,
-+
+        applications/dynamicProps/RCorrFunc.cpp,
-+
+        applications/staticProps/GofXyz.cpp,
-+
+        applications/staticProps/GofXyz.hpp,
-+
+        applications/staticProps/StaticProps.cpp,
-+
+        applications/staticProps/StaticProps.ggo,
-+
+        applications/staticProps/StaticPropsCmd.c,
-+
+        applications/staticProps/StaticPropsCmd.h,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp,
-+
+        visitors/LipidTransVisitor.cpp, visitors/LipidTransVisitor.hpp,
-+
+        visitors/Makefile: adding LipidTransVisitor, GofXyz is working now
-+
-+
+-02-18 10:58  gezelter
-+
-+
+        * src/brains/Register.cpp: Corrected filename collision for EAM on
-+
+        Mac OS X
-+
-+
+-02-18 10:58  gezelter
-+
-+
+        * src/applications/oopse/oopse.cpp: Updated copyright information
-+
-+
+-02-18 10:58  gezelter
-+
-+
+        * src/UseTheForce/: EAM.cpp, EAM.hpp, EAM_FF.cpp, EAM_FF.hpp,
-+
+        Makefile: corrected filename collision for EAM on operating systems
-+
+        which are not case sensitive (aka Mac OS X)
-+
-+
+-02-17 15:15  tim
-+
-+
+        * src/applications/staticProps/GofXyz.cpp: more bug get fixed
-+
-+
+-02-17 14:50  tim
-+
-+
+        * src/applications/staticProps/: GofXyz.cpp, GofXyz.hpp: fix a bug
-+
+        in GofXyz
-+
-+
+-02-17 14:09  tim
-+
-+
+        * src/applications/staticProps/RadialDistrFunc.hpp: make
-+
+        processHistogram non-abstrct function
-+
-+
+-02-17 13:41  tim
-+
-+
+        * src/applications/staticProps/GofXyz.cpp: [no log message]
-+
-+
+-02-17 13:30  tim
-+
-+
+        * src/applications/staticProps/: GofR.cpp, GofRAngle.cpp,
-+
+        GofXyz.cpp, GofXyz.hpp, RadialDistrFunc.cpp, RadialDistrFunc.hpp:
-+
+        finish GofXyz
-+
-+
+-02-17 11:21  tim
-+
-+
+        * src/applications/staticProps/: GofAngle2.cpp, GofR.cpp,
-+
+        GofRAngle.cpp, GofXyz.cpp: change the output format of 2D radial
-+
+        distribution function
-+
-+
+-02-17 10:23  tim
-+
-+
+        * src/utils/BitSet.hpp: forget the const correctness for BitSet
-+
-+
+-02-17 10:18  tim
-+
-+
+        * src/: brains/BlockSnapshotManager.cpp,
-+
+        selection/DistanceFinder.cpp: The change of interface of BitSet
-+
+        cause a bug in SelectionEvaluation
-+
-+
+-02-16 16:13  tim
-+
-+
+        * src/utils/residentMem.c: return residentMem in byte
-+
-+
+-02-16 16:00  tim
-+
-+
+        * src/applications/staticProps/: GofAngle2.cpp, GofRAngle.cpp: fix
-+
+        a bug in writing out the value of cosang
-+
-+
+-02-16 15:43  tim
-+
-+
+        * src/brains/BlockSnapshotManager.cpp: using PhysMem - RSSMem to
-+
+        estimate avaliable memory
-+
-+
+-02-16 15:30  tim
-+
-+
+        * src/: applications/staticProps/GofAngle2.cpp,
-+
+        applications/staticProps/GofAngle2.hpp,
-+
+        applications/staticProps/GofR.cpp,
-+
+        applications/staticProps/GofR.hpp,
-+
+        applications/staticProps/GofRAngle.cpp,
-+
+        applications/staticProps/GofRAngle.hpp,
-+
+        applications/staticProps/GofXyz.cpp,
-+
+        applications/staticProps/GofXyz.hpp,
-+
+        applications/staticProps/StaticProps.cpp,
-+
+        applications/staticProps/StaticProps.ggo,
-+
+        applications/staticProps/StaticPropsCmd.c,
-+
+        applications/staticProps/StaticPropsCmd.h,
-+
+        brains/BlockSnapshotManager.cpp: change the default bin number
-+
-+
+-02-16 14:36  tim
-+
-+
+        * src/: applications/dynamicProps/DipoleCorrFunc.cpp,
-+
+        applications/dynamicProps/RCorrFunc.cpp,
-+
+        applications/dynamicProps/TimeCorrFunc.cpp,
-+
+        applications/dynamicProps/VCorrFunc.cpp,
-+
+        applications/staticProps/GofAngle2.cpp,
-+
+        applications/staticProps/GofR.cpp,
-+
+        applications/staticProps/GofR.hpp,
-+
+        applications/staticProps/GofRAngle.cpp,
-+
+        applications/staticProps/GofRAngle.hpp,
-+
+        applications/staticProps/RadialDistrFunc.cpp,
-+
+        applications/staticProps/RadialDistrFunc.hpp,
-+
+        selection/SelectionManager.cpp, selection/SelectionManager.hpp,
-+
+        utils/BitSet.cpp, utils/BitSet.hpp: change the suffix of output
-+
+        files;fix the problem of counting in staticProps
-+
-+
+-02-15 14:39  tim
-+
-+
+        * src/brains/BlockSnapshotManager.cpp: fix a bug in
-+
+        BlockSnapshotManager
-+
-+
+-02-15 14:36  tim
-+
-+
+        * src/: applications/dynamicProps/TimeCorrFunc.cpp,
-+
+        applications/staticProps/RadialDistrFunc.cpp,
-+
+        brains/BlockSnapshotManager.cpp, brains/BlockSnapshotManager.hpp,
-+
+        selection/SelectionEvaluator.cpp: BlockSnapshotManager is using
-+
+        reference counting now
-+
-+
+-02-15 12:49  tim
-+
-+
+        * src/selection/: SelectionEvaluator.cpp, SelectionEvaluator.hpp:
-+
+        replace std::make_pair by VariablesType::value_type to make Sun
-+
+        Compiler happy
-+
-+
+-02-15 12:35  tim
-+
-+
+        * src/selection/: TokenMap.cpp, TokenMap.hpp: adding typedef to
-+
+        TokenMap, using TokenMapType::value_type instead of std::make_pair
-+
+        to make Sun compiler happy
-+
-+
+-02-15 12:24  tim
-+
-+
+        * src/applications/staticProps/: GofRAngle.cpp,
-+
+        RadialDistrFunc.cpp, RadialDistrFunc.hpp: bug fix in StaticProps
-+
-+
+-02-15 12:11  tim
-+
-+
+        * src/: applications/staticProps/GofR.cpp,
-+
+        applications/staticProps/RadialDistrFunc.cpp,
-+
+        applications/staticProps/RadialDistrFunc.hpp,
-+
+        brains/BlockSnapshotManager.cpp, utils/BitSet.cpp: (1) adding
-+
+        #ifdef __RWSTD to make sun compiler happy (2) fix pair density
-+
+        calculation problem when two selections intersect with each other
-+
-+
+-02-15 10:24  gezelter
-+
-+
+        * src/brains/BlockSnapshotManager.cpp: cast of NULL to satisfy
-+
+        xlc++
-+
-+
+-02-15 10:17  gezelter
-+
-+
+        * configure, ac-tools/configure.in, src/config.h.in,
-+
+        src/utils/residentMem.c: [no log message]
-+
-+
+-02-15 01:17  gezelter
-+
-+
+        * src/utils/residentMem.c: bug fix for null termination
-+
-+
+-02-15 01:11  gezelter
-+
-+
+        * configure, ac-tools/configure.in, src/utils/residentMem.c:
-+
+        bugfixing residentMem
-+
-+
+-02-15 00:59  gezelter
-+
-+
+        * configure, ac-tools/configure.in, src/config.h.in,
-+
+        src/utils/residentMem.c: bugfixes for residentMem on LINUX
-+
-+
+-02-15 00:08  gezelter
-+
-+
+        * src/utils/Makefile.in: added residentMem
-+
-+
+-02-15 00:05  gezelter
-+
-+
+        * configure, ac-tools/configure.in, make/Makefile.in,
-+
+        src/config.h.in, src/utils/physmem.h, src/utils/residentMem.c,
-+
+        src/utils/residentMem.h: modifications to estimate memory in use by
-+
+        other processes autoconf fixes ps syntax checking config.h file
-+
+        cleaning
-+
-+
+-02-14 18:26  gezelter
-+
-+
+        * configure, ac-tools/configure.in, make/Makefile.in: ps niceness
-+
-+
+-02-14 18:16  gezelter
-+
-+
+        * configure, ac-tools/aclocal.m4, ac-tools/configure.in: ps
-+
+        strangeness
-+
-+
+-02-14 14:42  tim
-+
-+
+        * src/brains/BlockSnapshotManager.cpp: fix a bug in
-+
+        BlockSnapshotManager.hpp
-+
-+
+-02-14 13:51  tim
-+
-+
+        * src/applications/staticProps/: StaticProps.cpp, StaticProps.ggo,
-+
+        StaticPropsCmd.c: default length for staticProps is 1/2 smallest
-+
+        length of first frame
-+
-+
+-02-14 13:12  tim
-+
-+
+        * src/integrators/VelocityVerletIntegrator.cpp: fix a bug in
-+
+        VelocityVerletIntegrator : last frame is written twice
-+
-+
+-02-14 12:57  tim
-+
-+
+        * src/: applications/dynamicProps/TimeCorrFunc.cpp,
-+
+        brains/SimInfo.cpp, primitives/RigidBody.cpp,
-+
+        primitives/StuntDouble.hpp: begin bug fix
-+
-+
+-02-14 12:35  tim
-+
-+
+        * src/applications/dynamicProps/: CorrelationFunction.cpp,
-+
+        CorrelationFunction.hpp, CrossTimeCorrFunc.cpp,
-+
+        CrossTimeCorrFunc.hpp, DipoleCorrFunc.cpp, DipoleCorrFunc.hpp,
-+
+        DynamicProps.cpp, FrameTimeCorrFunc.hpp, Makefile,
-+
+        ParticleTimeCorrFunc.cpp, ParticleTimeCorrFunc.hpp, RCorrFunc.cpp,
-+
+        RCorrFunc.hpp, TimeCorrFunc.cpp, TimeCorrFunc.hpp, VCorrFunc.cpp,
-+
+        VCorrFunc.hpp: refactory CorrelationFunction
-+
-+
+-02-14 10:18  gezelter
-+
-+
+        * src/applications/dynamicProps/CorrelationFunction.cpp: bug fix
-+
+        and start of switch for type of correlation function
-+
-+
+-02-13 16:18  tim
-+
-+
+        * src/brains/: DataStorage.cpp, SimInfo.cpp: fix a bug in
-+
+        calculating  bytes per stuntdouble
-+
-+
+-02-13 16:03  tim
-+
-+
+        * src/applications/dynamicProps/CorrelationFunction.cpp: more fix
-+
-+
+-02-13 15:57  tim
-+
-+
+        * src/applications/dynamicProps/CorrelationFunction.cpp: fixed a
-+
+        bug in CorrelationFunction
-+
-+
+-02-13 15:36  tim
-+
-+
+        * src/: applications/staticProps/GofR.cpp,
-+
+        applications/staticProps/GofRAngle.cpp, brains/SimInfo.cpp: fixed a
-+
+        bug in SimInfo::getCutoff()
-+
-+
+-02-13 15:08  tim
-+
-+
+        * make/Makefile.in: adding staticProps and dynamicProps into
-+
+        Makefile.in
-+
-+
+-02-13 15:05  tim
-+
-+
+        * src/: applications/dynamicProps/CorrelationFunction.cpp,
-+
+        applications/dynamicProps/CorrelationFunction.hpp,
-+
+        applications/staticProps/StaticProps.cpp,
-+
+        applications/staticProps/StaticProps.ggo,
-+
+        applications/staticProps/StaticPropsCmd.c,
-+
+        applications/staticProps/StaticPropsCmd.h, brains/SimInfo.cpp,
-+
+        brains/SimInfo.hpp, integrators/Integrator.cpp: maximum length
-+
+        defaults to the cutoff radius
-+
-+
+-02-13 14:14  tim
-+
-+
+        * src/utils/Algorithm.hpp: adding Algorithm.hpp
-+
-+
+-02-13 14:10  tim
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/dynamicProps/CorrelationFunction.cpp,
-+
+        applications/dynamicProps/CorrelationFunction.hpp,
-+
+        applications/dynamicProps/DynamicProps.cpp,
-+
+        brains/BlockSnapshotManager.cpp, brains/BlockSnapshotManager.hpp,
-+
+        integrators/Integrator.cpp, integrators/Integrator.hpp,
-+
+        integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp, io/DumpWriter.cpp,
-+
+        io/LennardJonesAtomTypesSectionParser.cpp, minimizers/PRCG.cpp,
-+
+        utils/BitSet.cpp, utils/BitSet.hpp, utils/physmem.h,
-+
+        visitors/OtherVisitor.cpp: dynamicProps get built
-+
-+
+-02-13 10:56  tim
-+
-+
+        * src/: applications/dynamicProps/CorrelationFunction.cpp,
-+
+        brains/BlockSnapshotManager.cpp, brains/BlockSnapshotManager.hpp,
-+
+        brains/DataStorage.cpp, brains/DataStorage.hpp: dynamicProps in
-+
+        progress
-+
-+
+-02-13 03:04  tim
-+
-+
+        * src/: applications/dynamicProps/CorrelationFunction.hpp,
-+
+        brains/BlockSnapshotManager.cpp, brains/BlockSnapshotManager.hpp,
-+
+        brains/Makefile, brains/SimInfo.hpp, brains/SimSnapshotManager.cpp,
-+
+        brains/SimSnapshotManager.hpp, brains/SnapshotManager.hpp: more
-+
+        work in dynamicProps
-+
-+
+-02-13 02:25  tim
-+
-+
+        * src/applications/dynamicProps/DynamicProps.cpp: adding
-+
+        dynamicProps
-+
-+
+-02-13 02:14  tim
-+
-+
+        * src/applications/dynamicProps/: DynamicPropsCmd.c,
-+
+        DynamicPropsCmd.h: adding command line option to DynamicProps
-+
-+
+-02-13 02:13  tim
-+
-+
+        * src/applications/dynamicProps/: DynamicProps.ggo, Makefile:
-+
+        adding command line option for DynamicProps
-+
-+
+-02-13 01:57  tim
-+
-+
+        * src/: applications/dynamicProps/CorrelationFunction.cpp,
-+
+        applications/dynamicProps/CorrelationFunction.hpp,
-+
+        applications/dynamicProps/DipoleCorrFunc.cpp,
-+
+        applications/dynamicProps/DipoleCorrFunc.hpp,
-+
+        applications/dynamicProps/RCorrFunc.cpp,
-+
+        applications/dynamicProps/RCorrFunc.hpp,
-+
+        applications/dynamicProps/VCorrFunc.cpp,
-+
+        applications/dynamicProps/VCorrFunc.hpp,
-+
+        applications/staticProps/RadialDistrFunc.cpp,
-+
+        brains/BlockSnapshotManager.cpp, brains/BlockSnapshotManager.hpp,
-+
+        brains/SimSnapshotManager.cpp, brains/SimSnapshotManager.hpp,
-+
+        brains/SnapshotManager.hpp, io/DumpReader.cpp, io/DumpReader.hpp,
-+
+        primitives/RigidBody.cpp, primitives/RigidBody.hpp: adding
-+
+        dynamicProps
-+
-+
+-02-12 15:09  tim
-+
-+
+        * src/selection/SelectionManager.cpp: adding SelectionManager.cpp
-+
-+
+-02-11 17:41  tim
-+
-+
+        * src/brains/: SimInfo.cpp, SimInfo.hpp, Snapshot.hpp: adding one
-+
+        more constructor to Snapshot to create customized DataStorage
-+
-+
+-02-11 17:39  tim
-+
-+
+        * src/selection/: DistanceFinder.hpp, Makefile,
-+
+        SelectionManager.hpp: adding beginSelected, nextSelected method to
-+
+        SelectionManager
-+
-+
+-02-11 17:36  tim
-+
-+
+        * src/config.h.in, configure: adding support for physmem
-+
-+
+-02-11 17:35  tim
-+
-+
+        * ac-tools/configure.in: adding supprot for physmem
-+
-+
+-02-11 17:35  tim
-+
-+
+        * src/utils/: BitSet.hpp, Makefile.in, physmem.c, physmem.h: adding
-+
+        physmem
-+
-+
+-02-10 17:37  tim
-+
-+
+        * src/applications/staticProps/: GofAngle2.cpp, GofAngle2.hpp,
-+
+        GofR.cpp, GofR.hpp, GofRAngle.cpp, GofRAngle.hpp, GofXyz.cpp,
-+
+        GofXyz.hpp, Makefile, RadialDistrFunc.cpp, RadialDistrFunc.hpp,
-+
+        StaticProps.cpp, StaticProps.ggo, StaticPropsCmd.c,
-+
+        StaticPropsCmd.h: more work in StaticProps
-+
-+
+-02-10 13:14  tim
-+
-+
+        * src/applications/staticProps/: GofAngle2.cpp, GofAngle2.hpp,
-+
+        GofR.cpp, GofR.ggo, GofR.hpp, GofRAngle.cpp, GofRAngle.hpp,
-+
+        GofRCmd.c, GofRCmd.h, GofRMain.cpp, GofXyz.cpp, GofXyz.hpp,
-+
+        Makefile, RadialDistrFunc.cpp, RadialDistrFunc.hpp,
-+
+        StaticProps.cpp, StaticProps.ggo, StaticPropsCmd.c,
-+
+        StaticPropsCmd.h: change the filenames
-+
-+
+-02-10 09:15  tim
-+
-+
+        * src/applications/staticProps/: GofR.cpp, GofRAngle.cpp,
-+
+        GofRAngle.hpp, GofRMain.cpp, RadialDistrFunc.cpp,
-+
+        RadialDistrFunc.hpp: adding GofRAngle
-+
-+
+-02-09 13:21  tim
-+
-+
+        * src/applications/staticProps/: GofrCmd.c, GofrCmd.h: remove some
-+
+        useless files
-+
-+
+-02-09 13:12  tim
-+
-+
+        * src/applications/staticProps/: GofR.cpp, Makefile,
-+
+        RadialDistrFunc.cpp, RadialDistrFunc.hpp: staticProps in progress
-+
-+
+-02-09 12:08  tim
-+
-+
+        * src/applications/staticProps/: GofR.cpp, GofR.ggo, GofR.hpp,
-+
+        GofRCmd.c, GofRCmd.h, GofRMain.cpp, GofrCmd.c, GofrCmd.h,
-+
+        RadialDistrFunc.cpp, RadialDistrFunc.hpp: adding GofR
-+
-+
+-02-07 17:39  tim
-+
-+
+        * src/primitives/Molecule.hpp: add getRigidBodyAt  function into
-+
+        Molecule class
-+
-+
+-02-07 17:38  tim
-+
-+
+        * src/applications/dump2Xyz/Dump2XYZCmd.c: update help info
-+
-+
+-02-07 17:36  tim
-+
-+
+        * src/selection/: NameFinder.cpp, NameFinder.hpp,
-+
+        SelectionCompiler.cpp: support select internal index selection, for
-+
+        example, select DMPC.3
-+
-+
+-02-07 16:11  tim
-+
-+
+        * src/applications/dump2Xyz/: Dump2XYZCmd.c, Dump2XYZCmd.h: update
-+
+        help info for Dump2XYZ
-+
-+
+-02-07 15:39  chrisfen
-+
-+
+        * src/selection/: SelectionEvaluator.cpp, SelectionEvaluator.hpp:
-+
+        selection librarys added
-+
-+
+-02-07 15:31  tim
-+
-+
+        * src/selection/Makefile, make/Makefile.in: adding Makefile
-+
-+
+-02-07 15:20  chrisfen
-+
-+
+        * src/utils/wildcards.hpp: issue commented out in wildcards
-+
-+
+-02-07 15:06  tim
-+
-+
+        * src/selection/SelectionEvaluator.cpp: forget to reset the pc
-+
+        which cause reevaluate return NULL
-+
-+
+-02-07 14:14  tim
-+
-+
+        * src/brains/: SimCreator.cpp, SimSnapshotManager.cpp,
-+
+        SimSnapshotManager.hpp: fix a bug in determing the global index for
-+
+        rigidbodies
-+
-+
+-02-07 14:13  tim
-+
-+
+        * src/utils/: BitSet.cpp, BitSet.hpp, StringUtils.hpp: minor change
-+
+        in Bitset
-+
-+
+-02-07 14:13  tim
-+
-+
+        * src/selection/: DistanceFinder.cpp, DistanceFinder.hpp,
-+
+        SelectionCompiler.cpp, SelectionCompiler.hpp,
-+
+        SelectionEvaluator.cpp, SelectionEvaluator.hpp, Token.hpp,
-+
+        TokenMap.cpp: selection library is working
-+
-+
+-02-04 17:46  tim
-+
-+
+        * src/applications/dump2Xyz/Dump2XYZ.cpp: remove SelectionVisitor
-+
-+
+-02-04 17:45  tim
-+
-+
+        * src/visitors/: OtherVisitor.cpp, OtherVisitor.hpp: IgnoreVisitor
-+
+        and XYZVisitor now use selection library
-+
-+
+-02-04 17:44  tim
-+
-+
+        * src/brains/: MoleculeCreator.cpp, SimInfo.cpp, SimInfo.hpp:
-+
+        adding SelectionManager into SimInfo
-+
-+
+-02-04 17:43  tim
-+
-+
+        * src/applications/dump2Xyz/: Dump2XYZ.cpp, Dump2XYZ.ggo,
-+
+        Dump2XYZCmd.c, Dump2XYZCmd.h: dump2Xyz now take advantage of
-+
+        selection library
-+
-+
+-02-04 17:42  tim
-+
-+
+        * src/utils/: BitSet.hpp, Makefile.in, wildcards.cpp: minor change
-+
+        in BitSet
-+
-+
+-02-04 17:41  tim
-+
-+
+        * src/primitives/: Molecule.hpp, RigidBody.hpp: adding missing
-+
+        implementation
-+
-+
+-02-04 17:39  tim
-+
-+
+        * src/selection/: NameFinder.cpp, NameFinder.hpp,
-+
+        SelectionCompiler.cpp, SelectionCompiler.hpp,
-+
+        SelectionEvaluator.cpp, SelectionEvaluator.hpp,
-+
+        SelectionManager.hpp, Token.hpp: half of the selection utility is
-+
+        working need to debug within keyword and atomproperty keyword
-+
-+
+-02-04 00:42  tim
-+
-+
+        * src/selection/: NameFinder.cpp, NameFinder.hpp: selection library
-+
+        get built
-+
-+
+-02-04 00:42  tim
-+
-+
+        * src/utils/: BitSet.cpp, BitSet.hpp: fix BitSet
-+
-+
+-02-04 00:26  tim
-+
-+
+        * src/brains/: ForceFields.cpp, Migrator.hpp, SimCreator.cpp:
-+
+        remove some useless files
-+
-+
+-02-03 23:57  tim
-+
-+
+        * src/: primitives/RigidBody.hpp, selection/NameFinder.cpp,
-+
+        selection/NameFinder.hpp, utils/wildcards.cpp, utils/wildcards.hpp:
-+
+        adding wildcard class; NameFinder is finished
-+
-+
+-02-03 18:14  tim
-+
-+
+        * src/selection/: NameFinder.cpp, NameFinder.hpp,
-+
+        SelectionCompiler.cpp, SelectionCompiler.hpp,
-+
+        SelectionEvaluator.cpp, SelectionEvaluator.hpp,
-+
+        SelectionManager.hpp, Token.hpp, TokenMap.cpp: more work in
-+
+        selection library
-+
-+
+-02-03 09:04  tim
-+
-+
+        * src/selection/: SelectionEvaluator.cpp, SelectionEvaluator.hpp:
-+
+        selection in progress
-+
-+
+-02-02 18:13  tim
-+
-+
+        * src/selection/: SelectionCompiler.cpp, SelectionCompiler.hpp,
-+
+        SelectionEvaluator.cpp, SelectionEvaluator.hpp, Token.cpp,
-+
+        Token.hpp, TokenMap.cpp, TokenMap.hpp: selection library in
-+
+        progress, except SelectionEvaluator, other files are compiled
-+
-+
+-02-02 18:12  tim
-+
-+
+        * src/utils/: Makefile.in, any.hpp: adding boost::any
-+
-+
+-02-02 07:51  tim
-+
-+
+        * src/selection/SelectionCompiler.cpp: add SelectionCompiler.cpp
-+
-+
+-02-01 17:49  tim
-+
-+
+        * src/: utils/BitSet.cpp, utils/BitSet.hpp, utils/StringUtils.hpp,
-+
+        selection/SelectionCompiler.hpp, selection/SelectionEvaluator.cpp,
-+
+        selection/SelectionEvaluator.hpp, selection/SelectionManager.hpp,
-+
+        selection/Token.hpp: Selection in progress
-+
-+
+-02-01 01:55  tim
-+
-+
+        * src/: selection/SelectionCompiler.hpp,
-+
+        selection/SelectionEvaluator.cpp, selection/SelectionEvaluator.hpp,
-+
+        selection/SelectionManager.hpp, selection/Token.hpp,
-+
+        utils/BitSet.cpp, utils/BitSet.hpp: adding selection library
-+
-+
+-01-26 10:26  tim
-+
-+
+        * src/integrators/: Integrator.cpp, Integrator.hpp,
-+
+        VelocityVerletIntegrator.cpp, VelocityVerletIntegrator.hpp: forget
-+
+        to add eorWriter
-+
-+
+-01-26 10:15  tim
-+
-+
+        * src/: primitives/GhostTorsion.cpp, visitors/AtomVisitor.cpp:
-+
+        (1)Cast wrong atom to DirectionalAtom in GhostTorsion (2)get the
-+
+        wrong column of electroframe
-+
-+
+-01-25 16:59  tim
-+
-+
+        * src/: brains/SimInfo.cpp, io/DumpReader.cpp: fix a bug in
-+
+        SimInfo, use number of cutoff stamp as counter to loop over
-+
+        rigidbody stamp
-+
-+
+-01-25 12:45  tim
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        brains/MoleculeCreator.cpp, brains/SimCreator.cpp,
-+
+        integrators/DLM.cpp, io/AtomTypesSectionParser.cpp,
-+
+        io/BendTypesSectionParser.cpp, io/BondTypesSectionParser.cpp,
-+
+        io/DirectionalAtomTypesSectionParser.cpp, io/DumpReader.cpp,
-+
+        io/EAMAtomTypesSectionParser.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp, io/Globals.cpp,
-+
+        io/Globals.hpp, io/LennardJonesAtomTypesSectionParser.cpp,
-+
+        io/StickyAtomTypesSectionParser.cpp,
-+
+        io/TorsionTypesSectionParser.cpp, io/TorsionTypesSectionParser.hpp,
-+
+        math/SquareMatrix.hpp, primitives/DirectionalAtom.cpp,
-+
+        primitives/DirectionalAtom.hpp, primitives/GhostTorsion.cpp,
-+
+        primitives/GhostTorsion.hpp, primitives/Makefile,
-+
+        primitives/RigidBody.cpp, types/MakeStamps.cpp: (1) complete
-+
+        section parser's error message (2) add GhostTorsion (3) accumulate
-+
+        inertial tensor from the directional atoms before calculate
-+
+        rigidbody's inertial tensor
-+
-+
+-01-17 17:17  tim
-+
-+
+        * forceFields/DUFF2.frc: forget to set dipole for lipid head group
-+
-+
+-01-17 11:58  tim
-+
-+
+        * src/integrators/NVT.cpp: fix a bug in loading initial extended
-+
+        system parameters
-+
-+
+-01-17 11:05  tim
-+
-+
+        * src/integrators/NVT.cpp: forget to set maxIterNum_ in NVT
-+
-+
+-01-14 17:02  tim
-+
-+
+        * src/UseTheForce/WATER.cpp: remove WATER.cpp
-+
-+
+-01-14 16:37  tim
-+
-+
+        * forceFields/Makefile: sync Makefile
-+
-+
+-01-14 16:13  gezelter
-+
-+
+        * make/Makefile.in, src/Makefile, src/UseTheForce/Makefile,
-+
+        src/UseTheForce/DarkSide/Makefile, src/applications/Makefile,
-+
+        src/applications/dump2Xyz/Makefile,
-+
+        src/applications/oopse/Makefile,
-+
+        src/applications/simpleBuilder/Makefile, src/brains/Makefile,
-+
+        src/constraints/Makefile, src/integrators/Makefile,
-+
+        src/io/Makefile, src/math/Makefile, src/minimizers/Makefile,
-+
+        src/primitives/Makefile, src/profiling/Makefile,
-+
+        src/restraints/Makefile, src/types/Makefile, src/utils/Makefile.in,
-+
+        src/visitors/Makefile: moved Package variable into subdirectory
-+
+        makefiles to speed up the building process
-+
-+
+-01-14 15:48  gezelter
-+
-+
+        * src/applications/oopse/oopse.cpp: Fixed publication details in
-+
+        banner
-+
-+
+-01-14 15:48  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: simParallel_interface.F90,
-+
+        simParallel_interface.h: added dummy subroutine to avoid empty
-+
+        unit, synchronized this dummy routine between C and fortran
-+
-+
+-01-14 15:31  gezelter
-+
-+
+        * src/UseTheForce/: Makefile, doForces.F90, doForces_interface.F90,
-+
+        notifyCutoffs.F90, notifyCutoffs_interface.F90, DarkSide/LJ.F90,
-+
+        DarkSide/Makefile, DarkSide/atype.F90,
-+
+        DarkSide/atype_interface.F90, DarkSide/charge.F90,
-+
+        DarkSide/charge_interface.F90, DarkSide/dipole.F90,
-+
+        DarkSide/dipole_interface.F90, DarkSide/eam.F90,
-+
+        DarkSide/eam_interface.F90, DarkSide/gb.F90,
-+
+        DarkSide/gb_interface.F90, DarkSide/lj_interface.F90,
-+
+        DarkSide/shapes.F90, DarkSide/shapes_interface.F90,
-+
+        DarkSide/simParallel.F90, DarkSide/simParallel_interface.F90,
-+
+        DarkSide/simulation.F90, DarkSide/simulation_interface.F90,
-+
+        DarkSide/sticky.F90, DarkSide/sticky_interface.F90: separating
-+
+        modules and C/Fortran interface subroutines
-+
-+
+-01-14 15:15  gezelter
-+
-+
+        * configure, ac-tools/aclocal.m4: more fixes for gnugetopt
-+
-+
+-01-14 15:09  gezelter
-+
-+
+        * configure, ac-tools/configure.in, src/config.h.in,
-+
+        src/utils/Makefile, src/utils/Makefile.in: fixing for gnugetopt
-+
-+
+-01-14 11:49  tim
-+
-+
+        * src/: io/EAMAtomTypesSectionParser.cpp,
-+
+        utils/StringTokenizer.cpp, utils/StringTokenizer.hpp,
-+
+        utils/StringUtils.hpp: using c library to do conversion instead of
-+
+        using iostream due to a bug in libstdc++(GCC 3.2)
-+
-+
+-01-13 21:40  tim
-+
-+
+        * src/brains/SimSetup.cpp: no message
-+
-+
+-01-13 20:56  tim
-+
-+
+        * src/primitives/Molecule.hpp: fix a bug in global index
-+
-+
+-01-13 20:04  tim
-+
-+
+        * src/minimizers/: Minimizer.cpp, Minimizer.hpp: remove include
-+
+        Integrator.hpp in Minimizer
-+
-+
+-01-13 17:14  gezelter
-+
-+
+        * src/utils/Makefile: compile getopt and getopt1 if we need to
-+
-+
+-01-13 16:56  gezelter
-+
-+
+        * make/Makefile.in: template flags
-+
-+
+-01-13 16:48  gezelter
-+
-+
+        * src/applications/oopse/Makefile: formatting
-+
-+
+-01-13 16:48  gezelter
-+
-+
+        * make/Makefile.in: fixed a MakeDir / MkDir problem added BinDir
-+
+        target
-+
-+
+-01-13 14:40  tim
-+
-+
+        * src/: UseTheForce/fSwitchingFunction.h,
-+
+        UseTheForce/mpiComponentPlan.h, brains/fSimulation.h, io/Makefile,
-+
+        math/Makefile, math/RectMatrix.hpp, math/Vector.hpp,
-+
+        primitives/RigidBody.cpp, types/AtomTypeProperties.h,
-+
+        types/CharmmTorsionType.cpp, utils/simError.h: port to SGI platform
-+
-+
+-01-13 13:26  tim
-+
-+
+        * make/Makefile.in: change the order of linking (object file comes
-+
+        first and then follow by user built library)
-+
-+
+-01-12 18:24  tim
-+
-+
+        * src/io/DumpWriter.cpp: remove useless debug info
-+
-+
+-01-12 18:21  tim
-+
-+
+        * src/applications/dump2Xyz/Dump2XYZ.cpp: minor fix
-+
-+
+-01-12 18:17  tim
-+
-+
+        * make/: Makefile.in, Makefile.in: missing tab
-+
-+
+-01-12 18:15  tim
-+
-+
+        * src/visitors/: AtomVisitor.cpp, AtomVisitor.hpp: LinearVisitor
-+
+        get fixed
-+
-+
+-01-12 17:40  gezelter
-+
-+
+        * make/Makefile.in, src/UseTheForce/DUFF.cpp,
-+
+        src/UseTheForce/DUFF.hpp, src/UseTheForce/EAM.cpp,
-+
+        src/UseTheForce/EAM.hpp, src/UseTheForce/EAM_FF.cpp,
-+
+        src/UseTheForce/ForceField.cpp, src/UseTheForce/ForceField.hpp,
-+
+        src/UseTheForce/ForceFieldCreator.hpp,
-+
+        src/UseTheForce/ForceFieldFactory.cpp,
-+
+        src/UseTheForce/ForceFieldFactory.hpp, src/UseTheForce/LJFF.cpp,
-+
+        src/UseTheForce/Makefile, src/UseTheForce/Shapes_FF.cpp,
-+
+        src/UseTheForce/doForces.F90, src/UseTheForce/doForces_interface.h,
-+
+        src/UseTheForce/fSwitchingFunction.h,
-+
+        src/UseTheForce/mpiComponentPlan.h,
-+
+        src/UseTheForce/mpiForceField.c, src/UseTheForce/mpiForceField.h,
-+
+        src/UseTheForce/notifyCutoffs.F90,
-+
+        src/UseTheForce/notifyCutoffs_interface.h,
-+
+        src/UseTheForce/DarkSide/LJ.F90,
-+
+        src/UseTheForce/DarkSide/atype.F90,
-+
+        src/UseTheForce/DarkSide/atype_interface.h,
-+
+        src/UseTheForce/DarkSide/charge.F90,
-+
+        src/UseTheForce/DarkSide/charge_interface.h,
-+
+        src/UseTheForce/DarkSide/dipole.F90,
-+
+        src/UseTheForce/DarkSide/dipole_interface.h,
-+
+        src/UseTheForce/DarkSide/eam.F90,
-+
+        src/UseTheForce/DarkSide/eam_interface.h,
-+
+        src/UseTheForce/DarkSide/force_globals.F90,
-+
+        src/UseTheForce/DarkSide/gb.F90,
-+
+        src/UseTheForce/DarkSide/gb_interface.h,
-+
+        src/UseTheForce/DarkSide/lj_interface.h,
-+
+        src/UseTheForce/DarkSide/neighborLists.F90,
-+
+        src/UseTheForce/DarkSide/reactionField.F90,
-+
+        src/UseTheForce/DarkSide/shapes.F90,
-+
+        src/UseTheForce/DarkSide/shapes_interface.h,
-+
+        src/UseTheForce/DarkSide/simParallel.F90,
-+
+        src/UseTheForce/DarkSide/simParallel_interface.h,
-+
+        src/UseTheForce/DarkSide/simulation.F90,
-+
+        src/UseTheForce/DarkSide/simulation_interface.h,
-+
+        src/UseTheForce/DarkSide/sticky.F90,
-+
+        src/UseTheForce/DarkSide/sticky_interface.h,
-+
+        src/UseTheForce/DarkSide/switcheroo.F90,
-+
+        src/applications/Makedepend, src/applications/quickLate.c,
-+
+        src/applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        src/applications/oopse/oopse.cpp,
-+
+        src/applications/simpleBuilder/BaseLattice.cpp,
-+
+        src/applications/simpleBuilder/BaseLattice.hpp,
-+
+        src/applications/simpleBuilder/Lattice.cpp,
-+
+        src/applications/simpleBuilder/Lattice.hpp,
-+
+        src/applications/simpleBuilder/LatticeCreator.cpp,
-+
+        src/applications/simpleBuilder/LatticeCreator.hpp,
-+
+        src/applications/simpleBuilder/LatticeFactory.cpp,
-+
+        src/applications/simpleBuilder/LatticeFactory.hpp,
-+
+        src/applications/simpleBuilder/MoLocator.cpp,
-+
+        src/applications/simpleBuilder/MoLocator.hpp,
-+
+        src/applications/simpleBuilder/simpleBuilder.cpp,
-+
+        src/brains/DataStorage.cpp, src/brains/DataStorage.hpp,
-+
+        src/brains/Exclude.cpp, src/brains/Exclude.hpp,
-+
+        src/brains/ForceManager.cpp, src/brains/ForceManager.hpp,
-+
+        src/brains/Makefile, src/brains/Migrator.hpp,
-+
+        src/brains/MoleculeCreator.cpp, src/brains/MoleculeCreator.hpp,
-+
+        src/brains/Register.cpp, src/brains/Register.hpp,
-+
+        src/brains/SimCreator.cpp, src/brains/SimCreator.hpp,
-+
+        src/brains/SimInfo.cpp, src/brains/SimInfo.hpp,
-+
+        src/brains/SimModel.hpp, src/brains/SimSetup.hpp,
-+
+        src/brains/SimSnapshotManager.cpp,
-+
+        src/brains/SimSnapshotManager.hpp, src/brains/SimState.cpp,
-+
+        src/brains/SimState.hpp, src/brains/SkipList.cpp,
-+
+        src/brains/SkipList.hpp, src/brains/Snapshot.cpp,
-+
+        src/brains/Snapshot.hpp, src/brains/SnapshotManager.hpp,
-+
+        src/brains/Stats.cpp, src/brains/Stats.hpp, src/brains/Thermo.cpp,
-+
+        src/brains/Thermo.hpp, src/brains/fSimulation.h,
-+
+        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp,
-+
+        src/constraints/AbstractClasses.hpp,
-+
+        src/constraints/ConstraintElem.hpp,
-+
+        src/constraints/ConstraintPair.hpp, src/constraints/Makefile,
-+
+        src/constraints/Rattle.cpp, src/constraints/Rattle.hpp,
-+
+        src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp,
-+
+        src/constraints/ZconsStruct.hpp,
-+
+        src/constraints/ZconstraintForceManager.cpp,
-+
+        src/constraints/ZconstraintForceManager.hpp,
-+
+        src/integrators/AbstractClasses.hpp,
-+
+        src/integrators/AllIntegrator.hpp, src/integrators/DLM.cpp,
-+
+        src/integrators/DLM.hpp, src/integrators/Integrator.cpp,
-+
+        src/integrators/Integrator.hpp,
-+
+        src/integrators/IntegratorCreator.hpp,
-+
+        src/integrators/IntegratorFactory.cpp,
-+
+        src/integrators/IntegratorFactory.hpp, src/integrators/Makefile,
-+
+        src/integrators/NPT.cpp, src/integrators/NPT.hpp,
-+
+        src/integrators/NPTf.cpp, src/integrators/NPTf.hpp,
-+
+        src/integrators/NPTi.cpp, src/integrators/NPTi.hpp,
-+
+        src/integrators/NPTxyz.cpp, src/integrators/NPTxyz.hpp,
-+
+        src/integrators/NVE.cpp, src/integrators/NVE.hpp,
-+
+        src/integrators/NVT.cpp, src/integrators/NVT.hpp,
-+
+        src/integrators/RotationAlgorithm.hpp,
-+
+        src/integrators/Velocitizer.cpp, src/integrators/Velocitizer.hpp,
-+
+        src/integrators/VelocityVerletIntegrator.cpp,
-+
+        src/integrators/VelocityVerletIntegrator.hpp,
-+
+        src/io/AtomTypesSectionParser.cpp,
-+
+        src/io/AtomTypesSectionParser.hpp, src/io/BASS_interface.cpp,
-+
+        src/io/BASS_interface.h, src/io/BASS_parse.c, src/io/BASS_parse.h,
-+
+        src/io/BendTypesSectionParser.cpp,
-+
+        src/io/BendTypesSectionParser.hpp,
-+
+        src/io/BondTypesSectionParser.cpp,
-+
+        src/io/BondTypesSectionParser.hpp,
-+
+        src/io/DirectionalAtomTypesSectionParser.cpp,
-+
+        src/io/DirectionalAtomTypesSectionParser.hpp,
-+
+        src/io/DumpReader.cpp, src/io/DumpReader.hpp,
-+
+        src/io/DumpWriter.cpp, src/io/DumpWriter.hpp,
-+
+        src/io/EAMAtomTypesSectionParser.cpp,
-+
+        src/io/EAMAtomTypesSectionParser.hpp,
-+
+        src/io/ElectrostaticAtomTypesSectionParser.cpp,
-+
+        src/io/ElectrostaticAtomTypesSectionParser.hpp, src/io/Globals.cpp,
-+
+        src/io/Globals.hpp, src/io/InitializeFromFile.cpp,
-+
+        src/io/LennardJonesAtomTypesSectionParser.cpp,
-+
+        src/io/LennardJonesAtomTypesSectionParser.hpp,
-+
+        src/io/LinkedAssign.cpp, src/io/LinkedAssign.hpp,
-+
+        src/io/LinkedCommand.cpp, src/io/LinkedCommand.hpp,
-+
+        src/io/Makefile, src/io/SectionParser.cpp,
-+
+        src/io/SectionParser.hpp, src/io/SectionParserManager.cpp,
-+
+        src/io/SectionParserManager.hpp, src/io/StatWriter.cpp,
-+
+        src/io/StatWriter.hpp, src/io/StickyAtomTypesSectionParser.cpp,
-+
+        src/io/StickyAtomTypesSectionParser.hpp,
-+
+        src/io/TorsionTypesSectionParser.cpp,
-+
+        src/io/TorsionTypesSectionParser.hpp, src/io/ZConsReader.cpp,
-+
+        src/io/ZConsReader.hpp, src/io/ZConsWriter.cpp,
-+
+        src/io/ZConsWriter.hpp, src/io/basic_ifstrstream.hpp,
-+
+        src/io/interface.c, src/io/make_nodes.c, src/io/make_nodes.h,
-+
+        src/io/mpiBASS.c, src/io/mpiBASS.h, src/io/node_list.h,
-+
+        src/io/parse_interface.h, src/io/parse_me.h, src/io/parse_tree.c,
-+
+        src/io/parse_tree.h, src/math/ChebyshevPolynomials.cpp,
-+
+        src/math/ChebyshevPolynomials.hpp, src/math/MatVec3.c,
-+
+        src/math/MatVec3.h, src/math/Polynomial.hpp,
-+
+        src/math/Quaternion.hpp, src/math/RealSphericalHarmonic.cpp,
-+
+        src/math/RealSphericalHarmonic.hpp, src/math/RectMatrix.hpp,
-+
+        src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
-+
+        src/math/Vector.hpp, src/math/Vector3.hpp,
-+
+        src/math/randomSPRNG.cpp, src/math/randomSPRNG.hpp,
-+
+        src/minimizers/CGFamilyMinimizer.cpp,
-+
+        src/minimizers/CGFamilyMinimizer.hpp, src/minimizers/Makefile,
-+
+        src/minimizers/Minimizer.cpp, src/minimizers/Minimizer.hpp,
-+
+        src/minimizers/MinimizerCreator.hpp,
-+
+        src/minimizers/MinimizerFactory.cpp,
-+
+        src/minimizers/MinimizerFactory.hpp,
-+
+        src/minimizers/MinimizerParameterSet.cpp,
-+
+        src/minimizers/MinimizerParameterSet.hpp,
-+
+        src/minimizers/OOPSEMinimizer.cpp,
-+
+        src/minimizers/OOPSEMinimizer.hpp, src/minimizers/PRCG.cpp,
-+
+        src/minimizers/PRCG.hpp, src/minimizers/SDMinimizer.cpp,
-+
+        src/minimizers/SDMinimizer.hpp, src/primitives/AbstractClasses.hpp,
-+
+        src/primitives/Atom.cpp, src/primitives/Atom.hpp,
-+
+        src/primitives/Bend.cpp, src/primitives/Bend.hpp,
-+
+        src/primitives/BendExtensions.cpp, src/primitives/Bond.cpp,
-+
+        src/primitives/Bond.hpp, src/primitives/BondExtensions.cpp,
-+
+        src/primitives/CutoffGroup.hpp, src/primitives/DirectionalAtom.cpp,
-+
+        src/primitives/DirectionalAtom.hpp, src/primitives/GhostBend.cpp,
-+
+        src/primitives/GhostBend.hpp, src/primitives/Makefile,
-+
+        src/primitives/Molecule.cpp, src/primitives/Molecule.hpp,
-+
+        src/primitives/RigidBody.cpp, src/primitives/RigidBody.hpp,
-+
+        src/primitives/SRI.hpp, src/primitives/StuntDouble.cpp,
-+
+        src/primitives/StuntDouble.hpp, src/primitives/Torsion.cpp,
-+
+        src/primitives/Torsion.hpp, src/primitives/TorsionExtensions.cpp,
-+
+        src/primitives/UreyBradleyBend.cpp,
-+
+        src/primitives/UreyBradleyBend.hpp, src/profiling/mdProfile.cpp,
-+
+        src/profiling/mdProfile.hpp, src/types/AtomStamp.cpp,
-+
+        src/types/AtomStamp.hpp, src/types/AtomType.cpp,
-+
+        src/types/AtomType.hpp, src/types/AtomTypeProperties.h,
-+
+        src/types/BendStamp.cpp, src/types/BendStamp.hpp,
-+
+        src/types/BendType.hpp, src/types/BondStamp.cpp,
-+
+        src/types/BondStamp.hpp, src/types/BondType.hpp,
-+
+        src/types/CharmmTorsionType.cpp, src/types/CharmmTorsionType.hpp,
-+
+        src/types/Component.cpp, src/types/Component.hpp,
-+
+        src/types/CubicBendType.hpp, src/types/CubicBondType.hpp,
-+
+        src/types/CubicTorsionType.hpp, src/types/CutoffGroupStamp.cpp,
-+
+        src/types/CutoffGroupStamp.hpp, src/types/DirectionalAtomType.cpp,
-+
+        src/types/DirectionalAtomType.hpp, src/types/FixedBondType.hpp,
-+
+        src/types/HarmonicBendType.hpp, src/types/HarmonicBondType.hpp,
-+
+        src/types/MakeStamps.cpp, src/types/MakeStamps.hpp,
-+
+        src/types/Makefile, src/types/MoleculeStamp.cpp,
-+
+        src/types/MoleculeStamp.hpp, src/types/MorseBondType.hpp,
-+
+        src/types/OplsTorsionType.hpp, src/types/PolynomialBendType.hpp,
-+
+        src/types/PolynomialBondType.hpp,
-+
+        src/types/PolynomialTorsionType.hpp, src/types/QuarticBendType.hpp,
-+
+        src/types/QuarticBondType.hpp, src/types/QuarticTorsionType.hpp,
-+
+        src/types/RigidBodyStamp.cpp, src/types/RigidBodyStamp.hpp,
-+
+        src/types/ShapeAtomType.cpp, src/types/ShapeAtomType.hpp,
-+
+        src/types/TorsionStamp.cpp, src/types/TorsionStamp.hpp,
-+
+        src/types/TorsionType.hpp, src/types/UreyBradleyBendType.hpp,
-+
+        src/types/ZconStamp.cpp, src/types/ZconStamp.hpp,
-+
+        src/utils/GenericData.hpp, src/utils/GenericFactory.hpp,
-+
+        src/utils/LocalIndexManager.hpp, src/utils/Makefile,
-+
+        src/utils/MemoryUtils.hpp, src/utils/NumericConstant.hpp,
-+
+        src/utils/OOPSEConstant.hpp, src/utils/PropertyMap.cpp,
-+
+        src/utils/PropertyMap.hpp, src/utils/StreamTokenizer.cpp,
-+
+        src/utils/StreamTokenizer.hpp, src/utils/StringTokenizer.cpp,
-+
+        src/utils/StringTokenizer.hpp, src/utils/StringUtils.cpp,
-+
+        src/utils/StringUtils.hpp, src/utils/Trim.cpp, src/utils/Trim.hpp,
-+
+        src/utils/Tuple.hpp, src/utils/TupleMatcher.hpp,
-+
+        src/utils/TypeContainer.hpp, src/utils/TypeInfo.hpp,
-+
+        src/utils/Utility.cpp, src/utils/Utility.hpp,
-+
+        src/utils/definitions.F90, src/utils/fError.c,
-+
+        src/utils/next_combination.hpp, src/utils/oopseMPI.F90,
-+
+        src/utils/simError.c, src/utils/simError.h, src/utils/status.F90,
-+
+        src/utils/vector_class.F90, src/visitors/AtomData.hpp,
-+
+        src/visitors/AtomVisitor.cpp, src/visitors/AtomVisitor.hpp,
-+
+        src/visitors/BaseVisitor.hpp, src/visitors/CompositeVisitor.cpp,
-+
+        src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp,
-+
+        src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp,
-+
+        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
-+
+        src/visitors/ZconsVisitor.hpp: merging new_design branch into
-+
+        OOPSE-2.0
-+
-+
+-01-12 13:13  tim
-+
-+
+        * src/: io/SectionParserManager.cpp, primitives/RigidBody.cpp,
-+
+        utils/TypeContainer.hpp: forget to include <algorithm>
-+
-+
+-01-12 12:25  tim
-+
-+
+        * forceFields/: DUFF.frc, DipoleTest.frc, LJFF.frc, newEAM.VC.frc,
-+
+        newEAM.frc, newEAM.u3.frc, newEAM.u6.frc: remove some useless force
-+
+        fields
-+
-+
+-01-12 12:14  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
-+
+        UseTheForce/EAM.cpp, UseTheForce/EAM.hpp,
-+
+        UseTheForce/ForceField.cpp, UseTheForce/ForceField.hpp,
-+
+        UseTheForce/ForceFieldCreator.hpp,
-+
+        UseTheForce/ForceFieldFactory.cpp,
-+
+        UseTheForce/ForceFieldFactory.hpp, UseTheForce/Shapes_FF.cpp,
-+
+        UseTheForce/doForces.F90, UseTheForce/doForces_interface.h,
-+
+        UseTheForce/fSwitchingFunction.h, UseTheForce/mpiComponentPlan.h,
-+
+        UseTheForce/notifyCutoffs.F90,
-+
+        UseTheForce/notifyCutoffs_interface.h, UseTheForce/DarkSide/LJ.F90,
-+
+        UseTheForce/DarkSide/atype.F90,
-+
+        UseTheForce/DarkSide/atype_interface.h,
-+
+        UseTheForce/DarkSide/charge.F90,
-+
+        UseTheForce/DarkSide/charge_interface.h,
-+
+        UseTheForce/DarkSide/dipole.F90,
-+
+        UseTheForce/DarkSide/dipole_interface.h,
-+
+        UseTheForce/DarkSide/eam.F90, UseTheForce/DarkSide/eam_interface.h,
-+
+        UseTheForce/DarkSide/force_globals.F90,
-+
+        UseTheForce/DarkSide/gb.F90, UseTheForce/DarkSide/gb_interface.h,
-+
+        UseTheForce/DarkSide/lj_interface.h,
-+
+        UseTheForce/DarkSide/neighborLists.F90,
-+
+        UseTheForce/DarkSide/reactionField.F90,
-+
+        UseTheForce/DarkSide/shapes.F90,
-+
+        UseTheForce/DarkSide/shapes_interface.h,
-+
+        UseTheForce/DarkSide/simParallel.F90,
-+
+        UseTheForce/DarkSide/simParallel_interface.h,
-+
+        UseTheForce/DarkSide/simulation.F90,
-+
+        UseTheForce/DarkSide/simulation_interface.h,
-+
+        UseTheForce/DarkSide/sticky.F90,
-+
+        UseTheForce/DarkSide/sticky_interface.h,
-+
+        UseTheForce/DarkSide/switcheroo.F90,
-+
+        applications/dump2Xyz/Dump2XYZ.cpp, applications/oopse/oopse.cpp,
-+
+        applications/simpleBuilder/BaseLattice.cpp,
-+
+        applications/simpleBuilder/BaseLattice.hpp,
-+
+        applications/simpleBuilder/Lattice.cpp,
-+
+        applications/simpleBuilder/Lattice.hpp,
-+
+        applications/simpleBuilder/LatticeCreator.cpp,
-+
+        applications/simpleBuilder/LatticeCreator.hpp,
-+
+        applications/simpleBuilder/LatticeFactory.cpp,
-+
+        applications/simpleBuilder/LatticeFactory.hpp,
-+
+        applications/simpleBuilder/MoLocator.cpp,
-+
+        applications/simpleBuilder/MoLocator.hpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp,
-+
+        brains/DataStorage.cpp, brains/DataStorage.hpp, brains/Exclude.cpp,
-+
+        brains/Exclude.hpp, brains/ForceManager.cpp,
-+
+        brains/ForceManager.hpp, brains/Makefile, brains/Migrator.hpp,
-+
+        brains/MoleculeCreator.cpp, brains/MoleculeCreator.hpp,
-+
+        brains/Register.cpp, brains/Register.hpp, brains/SimCreator.cpp,
-+
+        brains/SimCreator.hpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        brains/SimSnapshotManager.cpp, brains/SimSnapshotManager.hpp,
-+
+        brains/SkipList.cpp, brains/SkipList.hpp, brains/SnapShot.cpp,
-+
+        brains/Snapshot.cpp, brains/Snapshot.hpp,
-+
+        brains/SnapshotManager.hpp, brains/Stats.cpp, brains/Stats.hpp,
-+
+        brains/Thermo.cpp, brains/Thermo.hpp, brains/fSimulation.h,
-+
+        constraints/ConstraintElem.hpp, constraints/ConstraintPair.hpp,
-+
+        constraints/Rattle.cpp, constraints/Rattle.hpp,
-+
+        constraints/ZconsStruct.hpp,
-+
+        constraints/ZconstraintForceManager.cpp,
-+
+        constraints/ZconstraintForceManager.hpp, integrators/DLM.cpp,
-+
+        integrators/DLM.hpp, integrators/Integrator.cpp,
-+
+        integrators/Integrator.hpp, integrators/IntegratorCreator.hpp,
-+
+        integrators/IntegratorFactory.cpp,
-+
+        integrators/IntegratorFactory.hpp, integrators/NPT.cpp,
-+
+        integrators/NPT.hpp, integrators/NPTf.cpp, integrators/NPTf.hpp,
-+
+        integrators/NPTi.cpp, integrators/NPTi.hpp, integrators/NPTxyz.cpp,
-+
+        integrators/NPTxyz.hpp, integrators/NVE.cpp, integrators/NVE.hpp,
-+
+        integrators/NVT.cpp, integrators/NVT.hpp,
-+
+        integrators/RotationAlgorithm.hpp, integrators/Velocitizer.cpp,
-+
+        integrators/Velocitizer.hpp,
-+
+        integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp,
-+
+        io/AtomTypesSectionParser.cpp, io/AtomTypesSectionParser.hpp,
-+
+        io/BASS_interface.cpp, io/BASS_interface.h, io/BASS_parse.c,
-+
+        io/BASS_parse.h, io/BendTypesSectionParser.cpp,
-+
+        io/BendTypesSectionParser.hpp, io/BondTypesSectionParser.cpp,
-+
+        io/BondTypesSectionParser.hpp,
-+
+        io/DirectionalAtomTypesSectionParser.cpp,
-+
+        io/DirectionalAtomTypesSectionParser.hpp, io/DumpReader.cpp,
-+
+        io/DumpReader.hpp, io/DumpWriter.cpp, io/DumpWriter.hpp,
-+
+        io/EAMAtomTypesSectionParser.cpp, io/EAMAtomTypesSectionParser.hpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.hpp, io/Globals.cpp,
-+
+        io/Globals.hpp, io/LennardJonesAtomTypesSectionParser.cpp,
-+
+        io/LennardJonesAtomTypesSectionParser.hpp, io/LinkedAssign.cpp,
-+
+        io/LinkedAssign.hpp, io/LinkedCommand.cpp, io/LinkedCommand.hpp,
-+
+        io/SectionParser.cpp, io/SectionParser.hpp,
-+
+        io/SectionParserManager.cpp, io/SectionParserManager.hpp,
-+
+        io/StatWriter.cpp, io/StatWriter.hpp,
-+
+        io/StickyAtomTypesSectionParser.cpp,
-+
+        io/StickyAtomTypesSectionParser.hpp,
-+
+        io/TorsionTypesSectionParser.cpp, io/TorsionTypesSectionParser.hpp,
-+
+        io/ZConsReader.cpp, io/ZConsReader.hpp, io/ZConsWriter.cpp,
-+
+        io/ZConsWriter.hpp, io/basic_ifstrstream.hpp, io/interface.c,
-+
+        io/make_nodes.c, io/make_nodes.h, io/mpiBASS.c, io/mpiBASS.h,
-+
+        io/node_list.h, io/parse_interface.h, io/parse_me.h,
-+
+        io/parse_tree.c, io/parse_tree.h, math/ChebyshevPolynomials.cpp,
-+
+        math/ChebyshevPolynomials.hpp, math/MatVec3.c, math/MatVec3.h,
-+
+        math/Polynomial.hpp, math/Quaternion.hpp,
-+
+        math/RealSphericalHarmonic.cpp, math/RealSphericalHarmonic.hpp,
-+
+        math/RectMatrix.hpp, math/SquareMatrix.hpp, math/SquareMatrix3.hpp,
-+
+        math/Vector.hpp, math/Vector3.hpp, math/randomSPRNG.cpp,
-+
+        math/randomSPRNG.hpp, minimizers/CGFamilyMinimizer.cpp,
-+
+        minimizers/CGFamilyMinimizer.hpp, minimizers/Minimizer.cpp,
-+
+        minimizers/Minimizer.hpp, minimizers/MinimizerCreator.hpp,
-+
+        minimizers/MinimizerFactory.cpp, minimizers/MinimizerFactory.hpp,
-+
+        minimizers/MinimizerParameterSet.cpp,
-+
+        minimizers/MinimizerParameterSet.hpp, minimizers/PRCG.cpp,
-+
+        minimizers/PRCG.hpp, minimizers/SDMinimizer.cpp,
-+
+        minimizers/SDMinimizer.hpp, primitives/Atom.cpp,
-+
+        primitives/Atom.hpp, primitives/Bend.cpp, primitives/Bend.hpp,
-+
+        primitives/Bond.hpp, primitives/CutoffGroup.hpp,
-+
+        primitives/DirectionalAtom.cpp, primitives/DirectionalAtom.hpp,
-+
+        primitives/GhostBend.cpp, primitives/GhostBend.hpp,
-+
+        primitives/Molecule.cpp, primitives/Molecule.hpp,
-+
+        primitives/RigidBody.cpp, primitives/RigidBody.hpp,
-+
+        primitives/StuntDouble.cpp, primitives/StuntDouble.hpp,
-+
+        primitives/Torsion.cpp, primitives/Torsion.hpp,
-+
+        primitives/UreyBradleyBend.cpp, primitives/UreyBradleyBend.hpp,
-+
+        profiling/mdProfile.cpp, profiling/mdProfile.hpp,
-+
+        restraints/Restraints.cpp, restraints/Restraints.hpp,
-+
+        types/AtomStamp.cpp, types/AtomStamp.hpp, types/AtomType.cpp,
-+
+        types/AtomType.hpp, types/AtomTypeProperties.h,
-+
+        types/BendStamp.cpp, types/BendStamp.hpp, types/BendType.hpp,
-+
+        types/BondStamp.cpp, types/BondStamp.hpp, types/BondType.hpp,
-+
+        types/CharmmTorsionType.cpp, types/CharmmTorsionType.hpp,
-+
+        types/Component.cpp, types/Component.hpp, types/CubicBendType.hpp,
-+
+        types/CubicBondType.hpp, types/CubicTorsionType.hpp,
-+
+        types/CutoffGroupStamp.cpp, types/CutoffGroupStamp.hpp,
-+
+        types/DirectionalAtomType.cpp, types/DirectionalAtomType.hpp,
-+
+        types/FixedBondType.hpp, types/HarmonicBendType.hpp,
-+
+        types/HarmonicBondType.hpp, types/MakeStamps.cpp,
-+
+        types/MakeStamps.hpp, types/MoleculeStamp.cpp,
-+
+        types/MoleculeStamp.hpp, types/MorseBondType.hpp,
-+
+        types/OplsTorsionType.hpp, types/PolynomialBendType.hpp,
-+
+        types/PolynomialBondType.hpp, types/PolynomialTorsionType.hpp,
-+
+        types/QuarticBendType.hpp, types/QuarticBondType.hpp,
-+
+        types/QuarticTorsionType.hpp, types/RigidBodyStamp.cpp,
-+
+        types/RigidBodyStamp.hpp, types/ShapeAtomType.cpp,
-+
+        types/ShapeAtomType.hpp, types/TorsionStamp.cpp,
-+
+        types/TorsionStamp.hpp, types/TorsionType.hpp,
-+
+        types/UreyBradleyBendType.hpp, types/ZconStamp.cpp,
-+
+        types/ZconStamp.hpp, utils/GenericData.hpp,
-+
+        utils/GenericFactory.hpp, utils/LocalIndexManager.hpp,
-+
+        utils/MemoryUtils.hpp, utils/NumericConstant.hpp,
-+
+        utils/OOPSEConstant.hpp, utils/PropertyMap.cpp,
-+
+        utils/PropertyMap.hpp, utils/StringTokenizer.cpp,
-+
+        utils/StringTokenizer.hpp, utils/StringUtils.cpp,
-+
+        utils/StringUtils.hpp, utils/Trim.cpp, utils/Trim.hpp,
-+
+        utils/Tuple.hpp, utils/TupleMatcher.hpp, utils/TypeContainer.hpp,
-+
+        utils/Utility.cpp, utils/Utility.hpp, utils/definitions.F90,
-+
+        utils/fError.c, utils/next_combination.hpp, utils/oopseMPI.F90,
-+
+        utils/simError.c, utils/simError.h, utils/status.F90,
-+
+        utils/vector_class.F90, visitors/AtomData.hpp,
-+
+        visitors/AtomVisitor.cpp, visitors/AtomVisitor.hpp,
-+
+        visitors/BaseVisitor.hpp, visitors/CompositeVisitor.cpp,
-+
+        visitors/CompositeVisitor.hpp, visitors/OtherVisitor.cpp,
-+
+        visitors/OtherVisitor.hpp, visitors/RigidBodyVisitor.cpp,
-+
+        visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp,
-+
+        visitors/ZconsVisitor.hpp: change license
-+
-+
+-01-12 12:14  tim
-+
-+
+        * src/brains/Snapshot.cpp: file Snapshot.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-01-11 16:03  tim
-+
-+
+        * src/: constraints/ZconstraintForceManager.cpp,
-+
+        constraints/ZconstraintForceManager.hpp,
-+
+        minimizers/MinimizerParameterSet.cpp,
-+
+        minimizers/MinimizerParameterSet.hpp: change const static double
-+
+        data member to const double
-+
-+
+-01-11 15:50  tim
-+
-+
+        * src/io/basic_ifstrstream.hpp: forget namespace qualifier std::
-+
-+
+-01-11 15:39  tim
-+
-+
+        * src/: UseTheForce/DarkSide/atype.F90, types/AtomTypeProperties.h:
-+
+        change data type from logical to integer in AtomTypeProperties.h
-+
-+
+-01-11 11:36  tim
-+
-+
+        * forceFields/: EAM.VC.frc, EAM.frc, EAM.u3.frc, EAM.u6.frc: adding
-+
+        new format of EAM force field
-+
-+
+-01-11 11:24  tim
-+
-+
+        * src/UseTheForce/DUFF.cpp: change default name of DUFF force field
-+
+        to DUFF2.frc
-+
-+
+-01-11 11:23  tim
-+
-+
+        * forceFields/: DUFF2.frc, newDUFF.frc: rename newDUFF.frc to
-+
+        DUFF2.frc
-+
-+
+-01-11 11:09  tim
-+
-+
+        * make/Makefile.in: adding constraints and minimizers into
-+
+        Makefile.in
-+
-+
+-01-11 11:03  tim
-+
-+
+        * src/io/: ChargeAtomTypesSectionParser.cpp,
-+
+        ChargeAtomTypesSectionParser.hpp, DipoleAtomTypesSectionParser.cpp,
-+
+        DipoleAtomTypesSectionParser.hpp, Makefile: remove some useless
-+
+        files
-+
-+
+-01-11 10:59  tim
-+
-+
+        * src/io/ZConsWriter.cpp: [no log message]
-+
-+
+-01-11 10:53  tim
-+
-+
+        * src/UseTheForce/EAM.cpp: minor fix
-+
-+
+-01-11 10:52  tim
-+
-+
+        * src/constraints/Rattle.hpp: file Rattle.hpp was initially added
-+
+        on branch new_design.
-+
-+
+-01-11 10:52  tim
-+
-+
+        * src/constraints/Rattle.cpp: file Rattle.cpp was initially added
-+
+        on branch new_design.
-+
-+
+-01-11 10:52  tim
-+
-+
+        * src/constraints/: Rattle.cpp, Rattle.hpp: adding Rattle Algorithm
-+
-+
+-01-11 10:47  tim
-+
-+
+        * make/Makefile.in: forget a '$' sign
-+
-+
+-01-11 10:46  tim
-+
-+
+        * make/Makefile.in: missing tab in rules
-+
-+
+-01-10 17:04  tim
-+
-+
+        * src/: UseTheForce/ForceFieldCreator.cpp,
-+
+        UseTheForce/ForceFieldCreator.hpp,
-+
+        UseTheForce/ForceFieldFactory.cpp,
-+
+        UseTheForce/ForceFieldFactory.hpp, UseTheForce/Makefile,
-+
+        applications/dump2Xyz/Dump2XYZ.cpp, applications/oopse/oopse.cpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp, brains/Makefile,
-+
+        brains/Register.cpp, brains/Register.hpp,
-+
+        integrators/IntegratorCreator.cpp,
-+
+        integrators/IntegratorCreator.hpp,
-+
+        integrators/IntegratorFactory.cpp,
-+
+        integrators/IntegratorFactory.hpp, integrators/Makefile,
-+
+        integrators/NPTi.cpp, integrators/NVE.cpp, integrators/NVT.cpp,
-+
+        minimizers/Makefile, minimizers/MinimizerCreator.cpp,
-+
+        minimizers/MinimizerCreator.hpp, minimizers/MinimizerFactory.cpp,
-+
+        minimizers/MinimizerFactory.hpp: create a register module to
-+
+        register force fields, integrators and minimizers
-+
-+
+-01-10 17:04  tim
-+
-+
+        * src/brains/Register.cpp: file Register.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-01-10 17:04  tim
-+
-+
+        * src/brains/Register.hpp: file Register.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-01-10 15:52  tim
-+
-+
+        * src/: UseTheForce/ForceFieldFactory.cpp,
-+
+        applications/oopse/oopse.cpp, brains/ForceManager.hpp,
-+
+        constraints/ZconstraintForceManager.cpp,
-+
+        constraints/ZconstraintForceManager.hpp,
-+
+        integrators/IntegratorFactory.cpp,
-+
+        integrators/VelocityVerletIntegrator.cpp, io/ZConsReader.cpp,
-+
+        io/ZConsWriter.cpp, minimizers/MinimizerFactory.cpp,
-+
+        visitors/ZconsVisitor.cpp, visitors/ZconsVisitor.hpp: zconstraint
-+
+        method is working now
-+
-+
+-01-10 13:05  tim
-+
-+
+        * src/: constraints/ConstraintElem.hpp,
-+
+        constraints/ConstraintPair.hpp, constraints/ZconsStruct.hpp,
-+
+        constraints/ZconstraintForceManager.cpp,
-+
+        constraints/ZconstraintForceManager.hpp, io/ZConsReader.cpp,
-+
+        io/ZConsReader.hpp, io/ZConsWriter.cpp, io/ZConsWriter.hpp,
-+
+        visitors/ZconsVisitor.cpp, visitors/ZconsVisitor.hpp: more work in
-+
+        zconstraint
-+
-+
+-01-10 13:05  tim
-+
-+
+        * src/constraints/ZconsStruct.hpp: file ZconsStruct.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-01-07 16:50  tim
-+
-+
+        * src/constraints/ZconstraintForceManager.cpp: file
-+
+        ZconstraintForceManager.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-01-07 16:50  tim
-+
-+
+        * src/constraints/ZconstraintForceManager.hpp: file
-+
+        ZconstraintForceManager.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-01-07 16:50  tim
-+
-+
+        * src/: applications/simpleBuilder/BaseLattice.hpp,
-+
+        applications/simpleBuilder/Lattice.hpp,
-+
+        applications/simpleBuilder/LatticeCreator.hpp,
-+
+        applications/simpleBuilder/LatticeFactory.hpp,
-+
+        applications/simpleBuilder/MoLocator.hpp, brains/ForceManager.hpp,
-+
+        constraints/ConstraintElem.hpp, constraints/Makefile,
-+
+        constraints/ZConstraint.cpp, constraints/ZconsData.hpp,
-+
+        constraints/ZconstraintForceManager.cpp,
-+
+        constraints/ZconstraintForceManager.hpp,
-+
+        integrators/VelocityVerletIntegrator.cpp, primitives/Molecule.hpp,
-+
+        utils/NumericConstant.hpp: ZConstraintForceManager in progress
-+
-+
+-01-07 16:50  tim
-+
-+
+        * src/constraints/ConstraintElem.hpp: file ConstraintElem.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-01-06 17:31  tim
-+
-+
+        * src/: brains/MoleculeCreator.cpp, brains/MoleculeCreator.hpp,
-+
+        brains/SimCreator.cpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        constraints/ConstraintPair.hpp, integrators/Integrator.cpp,
-+
+        integrators/NPTi.cpp, integrators/VelocityVerletIntegrator.cpp,
-+
+        io/Globals.cpp, primitives/Molecule.cpp, primitives/Molecule.hpp:
-+
+        constraint is almost working
-+
-+
+-01-05 19:36  tim
-+
-+
+        * src/applications/simpleBuilder/MoLocator.cpp: simpleBuilder is
-+
+        working
-+
-+
+-01-05 19:16  tim
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/oopse/oopse.cpp,
-+
+        applications/simpleBuilder/BaseLattice.cpp,
-+
+        applications/simpleBuilder/Lattice.cpp,
-+
+        applications/simpleBuilder/LatticeFactory.cpp,
-+
+        applications/simpleBuilder/LatticeFactory.hpp,
-+
+        applications/simpleBuilder/MoLocator.cpp,
-+
+        applications/simpleBuilder/MoLocator.hpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp,
-+
+        brains/SimCreator.cpp, brains/SimCreator.hpp, brains/SimInfo.hpp,
-+
+        minimizers/Minimizer.cpp, primitives/RigidBody.cpp: simpleBuilder
-+
+        in progress
-+
-+
+-01-05 12:35  tim
-+
-+
+        * src/minimizers/MinimizerFactory.hpp: file MinimizerFactory.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-01-05 12:35  tim
-+
-+
+        * src/minimizers/Minimizer.cpp: file Minimizer.cpp was initially
-+
+        added on branch new_design.
-+
-+
+-01-05 12:35  tim
-+
-+
+        * src/minimizers/: CGFamilyMinimizer.cpp, CGFamilyMinimizer.hpp,
-+
+        Makefile, Minimizer.cpp, Minimizer.hpp, MinimizerCreator.cpp,
-+
+        MinimizerCreator.hpp, MinimizerFactory.cpp, MinimizerFactory.hpp,
-+
+        OOPSEMinimizer.cpp, OOPSEMinimizer.hpp, SDMinimizer.cpp,
-+
+        SDMinimizer.hpp: minimizer in progress
-+
-+
+-01-05 12:35  tim
-+
-+
+        * src/minimizers/MinimizerFactory.cpp: file MinimizerFactory.cpp
-+
+        was initially added on branch new_design.
-+
-+
+-01-05 12:35  tim
-+
-+
+        * src/minimizers/MinimizerCreator.cpp: file MinimizerCreator.cpp
-+
+        was initially added on branch new_design.
-+
-+
+-01-05 12:35  tim
-+
-+
+        * src/minimizers/MinimizerCreator.hpp: file MinimizerCreator.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-01-05 12:35  tim
-+
-+
+        * src/minimizers/Minimizer.hpp: file Minimizer.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-01-04 17:18  tim
-+
-+
+        * src/: brains/ForceManager.cpp, brains/MoleculeCreator.cpp,
-+
+        brains/MoleculeCreator.hpp, brains/SimInfo.cpp, brains/Stats.hpp,
-+
+        brains/Thermo.cpp, constraints/ConstraintPair.hpp,
-+
+        constraints/Makefile, integrators/NPT.cpp, integrators/NVE.cpp,
-+
+        integrators/NVT.cpp, integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp, io/DumpReader.cpp,
-+
+        primitives/Molecule.cpp, primitives/Molecule.hpp: constraints in
-+
+        progress
-+
-+
+-01-04 17:18  tim
-+
-+
+        * src/constraints/ConstraintPair.hpp: file ConstraintPair.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-01-04 17:18  tim
-+
-+
+        * src/minimizers/MinimizerParameterSet.cpp: file
-+
+        MinimizerParameterSet.cpp was initially added on branch new_design.
-+
-+
+-01-04 17:18  tim
-+
-+
+        * src/minimizers/SDMinimizer.hpp: file SDMinimizer.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-01-04 17:18  tim
-+
-+
+        * src/minimizers/CGFamilyMinimizer.hpp: file CGFamilyMinimizer.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-01-04 17:18  tim
-+
-+
+        * src/minimizers/: CGFamilyMinimizer.cpp, CGFamilyMinimizer.hpp,
-+
+        Makefile, MinimizerParameterSet.cpp, MinimizerParameterSet.hpp,
-+
+        OOPSEMinimizer.cpp, OOPSEMinimizer.hpp, PRCG.cpp, PRCG.hpp,
-+
+        SDMinimizer.cpp, SDMinimizer.hpp: minimizers in progress
-+
-+
+-01-04 17:18  tim
-+
-+
+        * src/minimizers/PRCG.hpp: file PRCG.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-12-20 15:50  chuckv
-+
-+
+        * make/Makefile.in: Fixed Makefile test bug under OSX and possibly
-+
+        other BSD's, replaced test -f *.mod with ls function since BSD test
-+
+        apparently doesn't support wildcards.
-+
-+
+-12-20 15:36  tim
-+
-+
+        * make/Makefile.in: fix a test command incompatiable problem
-+
-+
+-12-20 14:49  tim
-+
-+
+        * src/integrators/NPTi.cpp: NPT is working now
-+
-+
+-12-16 14:20  tim
-+
-+
+        * src/brains/SimInfo.cpp: Fix a bug in SimInfo which gives the
-+
+        invalid stamp id
-+
-+
+-12-16 14:00  tim
-+
-+
+        * forceFields/: newEAM.VC.frc, newEAM.frc, newEAM.u3.frc,
-+
+        newEAM.u6.frc: adding new EAM force field files
-+
-+
+-12-16 13:55  tim
-+
-+
+        * src/io/EAMAtomTypesSectionParser.cpp: parsing order three arrays
-+
+        in  EAM parameter file is incorrect
-+
-+
+-12-16 12:27  tim
-+
-+
+        * src/: UseTheForce/EAM.cpp, UseTheForce/EAM.hpp,
-+
+        brains/SimCreator.cpp, io/EAMAtomTypesSectionParser.cpp,
-+
+        utils/StringTokenizer.cpp: add getMaxRcutFromAtomType into EAM
-+
-+
+-12-15 17:34  tim
-+
-+
+        * src/: applications/simpleBuilder/BaseLattice.cpp,
-+
+        applications/simpleBuilder/BaseLattice.hpp,
-+
+        applications/simpleBuilder/Lattice.cpp,
-+
+        applications/simpleBuilder/Lattice.hpp,
-+
+        applications/simpleBuilder/LatticeCreator.cpp,
-+
+        applications/simpleBuilder/LatticeCreator.hpp,
-+
+        applications/simpleBuilder/LatticeFactory.cpp,
-+
+        applications/simpleBuilder/LatticeFactory.hpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp,
-+
+        io/basic_ifstrstream.hpp: fix a bug in basic_ifstrstream
-+
-+
+-12-15 16:07  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
-+
+        UseTheForce/EAM.cpp, UseTheForce/EAM.hpp, UseTheForce/Makefile,
-+
+        applications/dump2Xyz/Dump2XYZ.cpp, applications/oopse/oopse.cpp:
-+
+        add EAM Force Field
-+
-+
+-12-15 14:40  tim
-+
-+
+        * src/applications/oopse/oopse.cpp: add more force fields
-+
-+
+-12-15 11:44  tim
-+
-+
+        * src/brains/SimInfo.cpp: fix bugs in getCom and getComVel (forget
-+
+        to call All_reduce in MPI version)
-+
-+
+-12-15 11:13  tim
-+
-+
+        * src/: brains/SimCreator.cpp, brains/SimInfo.cpp,
-+
+        io/DumpReader.cpp: MPI in NVE is working
-+
-+
+-12-14 16:57  tim
-+
-+
+        * src/io/: DumpReader.cpp, DumpReader.hpp: fix a bug in DumpReader.
-+
+        Master nodes does not brocast the total number of frames
-+
-+
+-12-14 14:08  tim
-+
-+
+        * src/: brains/SimCreator.cpp, brains/SimSnapshotManager.hpp,
-+
+        integrators/NVE.hpp, io/DumpReader.cpp, io/DumpWriter.cpp,
-+
+        minimizers/CGFamilyMinimizer.cpp,
-+
+        minimizers/MinimizerParameterSet.hpp,
-+
+        minimizers/OOPSEMinimizer.cpp, minimizers/OOPSEMinimizer.hpp,
-+
+        minimizers/SDMinimizer.cpp: more fix in MPI version
-+
-+
+-12-13 17:30  tim
-+
-+
+        * src/: UseTheForce/DarkSide/simParallel.F90,
-+
+        applications/oopse/oopse.cpp, brains/SimCreator.cpp,
-+
+        brains/SimInfo.cpp, brains/Snapshot.hpp, brains/Thermo.cpp,
-+
+        integrators/DLM.cpp, integrators/Integrator.cpp,
-+
+        integrators/NPT.cpp, integrators/NPTf.cpp, integrators/NPTi.cpp,
-+
+        integrators/NPTxyz.cpp, integrators/NVT.cpp, io/DumpReader.cpp,
-+
+        io/DumpWriter.cpp, io/EAMAtomTypesSectionParser.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp, io/SectionParser.hpp,
-+
+        io/ZConsWriter.cpp, io/ZConsWriter.hpp, io/basic_ifstrstream.hpp,
-+
+        math/SquareMatrix3.hpp, primitives/Bend.hpp, primitives/Bond.hpp,
-+
+        primitives/RigidBody.cpp, primitives/StuntDouble.cpp,
-+
+        primitives/StuntDouble.hpp, types/CutoffGroupStamp.cpp,
-+
+        utils/LocalIndexManager.hpp, utils/PropertyMap.cpp,
-+
+        utils/PropertyMap.hpp, visitors/CompositeVisitor.cpp: MPI version
-+
+        is built
-+
-+
+-12-10 13:41  tim
-+
-+
+        * src/UseTheForce/WATER.cpp: fix another bug in WATER.cpp
-+
-+
+-12-10 11:14  tim
-+
-+
+        * src/: brains/ForceManager.cpp, primitives/StuntDouble.cpp,
-+
+        primitives/StuntDouble.hpp: forget to zero out the torque. Sticky
-+
+        and Dipole is working now
-+
-+
+-12-09 18:15  tim
-+
-+
+        * src/: UseTheForce/DarkSide/dipole.F90,
-+
+        UseTheForce/DarkSide/reactionField.F90, primitives/StuntDouble.hpp:
-+
+        fix an index problem in eFrame matrix
-+
-+
+-12-09 18:09  tim
-+
-+
+        * src/UseTheForce/WATER.cpp: fix a bug in WATER.cpp when
-+
+        initializing the new Charge AtomType
-+
-+
+-12-09 16:15  tim
-+
-+
+        * src/: UseTheForce/doForces.F90, UseTheForce/DarkSide/sticky.F90,
-+
+        types/DirectionalAtomType.cpp: sticky module get compiled
-+
-+
+-12-09 15:43  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: dipole.F90, force_globals.F90, gb.F90,
-+
+        reactionField.F90: u_l -> eFrame  for electrostatics u_l -> A for
-+
+        GB
-+
-+
+-12-09 15:42  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: u_l -> eFrame
-+
-+
+-12-09 15:27  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: sticky.F90, sticky_interface.h: sticky
-+
+        module now has the option for multiple sticky types
-+
-+
+-12-09 15:27  gezelter
-+
-+
+        * src/UseTheForce/doForces.F90: sticky
-+
-+
+-12-09 11:22  tim
-+
-+
+        * src/integrators/: NPT.cpp, NVT.cpp: fix an interface
-+
+        inconsistency in lab2Bidy
-+
-+
+-12-09 10:45  tim
-+
-+
+        * src/: math/SquareMatrix3.hpp, primitives/RigidBody.cpp: Fix a bug
-+
+        in calculating torque in rigid body
-+
-+
+-12-08 15:37  tim
-+
-+
+        * src/: UseTheForce/mpiForceField.c, UseTheForce/mpiForceField.h,
-+
+        brains/SnapShot.cpp, brains/Snapshot.hpp,
-+
+        integrators/Integrator.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp, utils/MemoryUtils.hpp:
-+
+        fix a parsing bug in ElectroStaticAtomTypesSectionParser
-+
-+
+-12-08 12:03  tim
-+
-+
+        * src/integrators/: NVT.cpp, VelocityVerletIntegrator.cpp: Butane
-+
+        in  NVT is working
-+
-+
+-12-07 18:08  tim
-+
-+
+        * src/: UseTheForce/Makefile, brains/SimInfo.hpp,
-+
+        integrators/NPT.cpp, integrators/NPTf.cpp, integrators/NPTi.cpp,
-+
+        integrators/NPTxyz.cpp, integrators/NVT.cpp, integrators/NVT.hpp,
-+
+        io/DumpWriter.cpp: NPT in progress
-+
-+
+-12-07 09:43  tim
-+
-+
+        * test/utils/: Makefile, NextCombinationTestCase.hpp: [no log
-+
+        message]
-+
-+
+-12-07 00:12  tim
-+
-+
+        * src/integrators/: Integrator.cpp, NPT.cpp, NPTi.cpp: fix a bug in
-+
+        UseInitXSstate
-+
-+
+-12-07 00:00  tim
-+
-+
+        * src/: io/DumpReader.cpp, utils/StringTokenizer.hpp: no message
-+
-+
+-12-06 23:47  tim
-+
-+
+        * src/types/DirectionalAtomType.cpp: [no log message]
-+
-+
+-12-06 21:18  tim
-+
-+
+        * forceFields/newDUFF.frc: merge WATER force field into DUFF
-+
-+
+-12-06 20:33  tim
-+
-+
+        * forceFields/newDUFF.frc: change the force constant of bonds
-+
-+
+-12-06 18:29  tim
-+
-+
+        * src/: UseTheForce/DarkSide/charge.F90,
-+
+        UseTheForce/DarkSide/charge_interface.h,
-+
+        UseTheForce/DarkSide/dipole.F90,
-+
+        UseTheForce/DarkSide/dipole_interface.h, primitives/Torsion.cpp:
-+
+        fix atom type ident in Charge and Dipole Module
-+
-+
+-12-06 17:56  tim
-+
-+
+        * src/primitives/Torsion.cpp: butane is working now
-+
-+
+-12-06 15:15  tim
-+
-+
+        * src/: brains/MoleculeCreator.cpp, primitives/Bend.cpp,
-+
+        primitives/Bond.hpp, primitives/Torsion.cpp: short range
-+
+        interaction for butane is correct.Still something wrong with long
-+
+        range one
-+
-+
+-12-05 23:49  tim
-+
-+
+        * src/: brains/Exclude.cpp, brains/Exclude.hpp,
-+
+        brains/SimCreator.cpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        io/BendTypesSectionParser.cpp, math/Polynomial.hpp,
-+
+        primitives/Atom.hpp, utils/NumericConstant.hpp,
-+
+        utils/TypeContainer.hpp: fix a bug in Exclude List
-+
-+
+-12-05 17:21  tim
-+
-+
+        * forceFields/newDUFF.frc: minor fix in DUFF
-+
-+
+-12-05 17:02  tim
-+
-+
+        * src/: brains/SimInfo.cpp, brains/Thermo.cpp, math/Vector.hpp,
-+
+        utils/StringTokenizer.cpp, utils/Utility.cpp, utils/Utility.hpp:
-+
+        fix a bug in filling MolMembership
-+
-+
+-12-05 12:12  tim
-+
-+
+        * forceFields/newDUFF.frc: minor fix in force field file
-+
-+
+-12-05 12:09  tim
-+
-+
+        * src/: applications/oopse/oopse.cpp, integrators/Integrator.cpp,
-+
+        integrators/NPTxyz.cpp, integrators/NVT.cpp: add Integrator.cpp
-+
-+
+-12-04 15:09  tim
-+
-+
+        * src/: UseTheForce/DarkSide/LJ.F90, math/Polynomial.hpp,
-+
+        math/Vector3.hpp: NVE is working now, get the same result as
-+
+        OOPSE-1.0
-+
-+
+-12-04 14:29  tim
-+
-+
+        * src/primitives/: Bend.cpp, Torsion.cpp: rewind to old copy
-+
-+
+-12-04 14:24  gezelter
-+
-+
+        * src/primitives/: Bend.cpp, Torsion.cpp: What?
-+
-+
+-12-04 14:24  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/LJ.F90: atid / c_ident confusion
-+
-+
+-12-04 00:24  tim
-+
-+
+        * src/: UseTheForce/ForceField.cpp, brains/Thermo.cpp,
-+
+        integrators/Integrator.hpp,
-+
+        integrators/VelocityVerletIntegrator.cpp, primitives/Torsion.cpp,
-+
+        utils/TypeContainer.hpp: NVE conserved energy, however, potential
-+
+        is not the same as OOPSE-1.0 Step 1 argon in NVE, NVT, NPTi, NPTf
-+
+        and NPTxyz to test integrator Step 2 SSD in NVE to test DLM,
-+
+        dipole, sticky Step 3 Butane in NVE to test Bond Bend Torsion Step
-+
+EAM Step 5 Shape Step 6 Constraint & Restraint
-+
-+
+-12-03 19:01  tim
-+
-+
+        * src/: UseTheForce/DarkSide/LJ.F90,
-+
+        applications/dump2Xyz/Dump2XYZ.cpp, brains/DataStorage.cpp,
-+
+        integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp, io/StatWriter.cpp,
-+
+        io/StatWriter.hpp, primitives/Atom.cpp: Dump2Xyz is also working,
-+
+        energy of NVE is not conserved
-+
-+
+-12-03 17:36  tim
-+
-+
+        * src/: brains/DataStorage.hpp, brains/Snapshot.hpp,
-+
+        primitives/Molecule.cpp, primitives/StuntDouble.hpp: NVE is running
-+
-+
+-12-03 16:30  tim
-+
-+
+        * src/: applications/oopse/oopse.cpp, brains/SimInfo.cpp,
-+
+        brains/SimInfo.hpp, brains/Thermo.hpp, integrators/Makefile,
-+
+        integrators/NVE.cpp, primitives/Molecule.cpp,
-+
+        primitives/Molecule.hpp, primitives/StuntDouble.hpp,
-+
+        primitives/Torsion.hpp: more missing function get implemented
-+
-+
+-12-03 15:30  tim
-+
-+
+        * src/brains/: MoleculeCreator.cpp, SimCreator.cpp, SimCreator.hpp,
-+
+        SimInfo.cpp, SimInfo.hpp: Change interface of SimInfo
-+
-+
+-12-03 12:59  tim
-+
-+
+        * src/: applications/oopse/oopse.cpp, brains/SimCreator.cpp,
-+
+        brains/SimCreator.hpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        integrators/NPT.cpp, integrators/NPTi.cpp, integrators/NVT.cpp,
-+
+        io/BASS_interface.cpp, io/DirectionalAtomTypesSectionParser.cpp,
-+
+        io/SectionParserManager.cpp, utils/LocalIndexManager.hpp,
-+
+        utils/TypeContainer.hpp: begin to fix bugs
-+
-+
+-12-02 19:26  tim
-+
-+
+        * src/utils/Trim.cpp: file Trim.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-12-02 19:26  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
-+
+        UseTheForce/ForceFieldCreator.cpp,
-+
+        UseTheForce/ForceFieldFactory.cpp, applications/oopse/oopse.cpp,
-+
+        integrators/IntegratorCreator.cpp,
-+
+        integrators/IntegratorFactory.cpp, io/SectionParserManager.cpp,
-+
+        io/SectionParserManager.hpp, utils/Makefile,
-+
+        utils/StringTokenizer.cpp, utils/Trim.cpp, utils/Trim.hpp: Fixed a
-+
+        bug in countTokens in StringTokenizer
-+
-+
+-12-02 19:06  tim
-+
-+
+        * forceFields/newDUFF.frc: minor fix
-+
-+
+-12-02 18:15  tim
-+
-+
+        * forceFields/newDUFF.frc: new ForceField format
-+
-+
+-12-02 17:15  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
-+
+        UseTheForce/ForceFieldCreator.cpp,
-+
+        UseTheForce/ForceFieldCreator.hpp,
-+
+        UseTheForce/ForceFieldFactory.cpp,
-+
+        UseTheForce/ForceFieldFactory.hpp, UseTheForce/Makefile,
-+
+        applications/oopse/oopse.cpp, integrators/IntegratorCreator.cpp,
-+
+        integrators/IntegratorCreator.hpp,
-+
+        integrators/IntegratorFactory.cpp,
-+
+        integrators/IntegratorFactory.hpp, integrators/Makefile,
-+
+        integrators/NPTf.cpp, integrators/NPTf.hpp, integrators/NPTi.cpp,
-+
+        integrators/NPTi.hpp, integrators/NPTxyz.cpp,
-+
+        integrators/NPTxyz.hpp, integrators/NVE.cpp, integrators/NVE.hpp,
-+
+        integrators/NVT.cpp, integrators/NVT.hpp,
-+
+        types/CharmmTorsionType.cpp, types/CharmmTorsionType.hpp,
-+
+        types/Makefile: refine factory pattern to make it initialized
-+
+        correctly
-+
-+
+-12-02 17:15  tim
-+
-+
+        * src/UseTheForce/ForceFieldCreator.hpp: file ForceFieldCreator.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-12-02 17:15  tim
-+
-+
+        * src/UseTheForce/ForceFieldCreator.cpp: file ForceFieldCreator.cpp
-+
+        was initially added on branch new_design.
-+
-+
+-12-02 17:15  tim
-+
-+
+        * src/integrators/IntegratorCreator.cpp: file IntegratorCreator.cpp
-+
+        was initially added on branch new_design.
-+
-+
+-12-02 17:15  tim
-+
-+
+        * src/integrators/IntegratorCreator.hpp: file IntegratorCreator.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-12-02 11:53  tim
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp, brains/Stats.cpp,
-+
+        types/DirectionalAtomType.cpp, types/Makefile: oopse get built
-+
-+
+-12-02 11:04  tim
-+
-+
+        * src/: applications/simpleBuilder/LatticeCreator.cpp,
-+
+        applications/simpleBuilder/LatticeCreator.hpp,
-+
+        applications/simpleBuilder/LatticeFactory.cpp,
-+
+        applications/simpleBuilder/LatticeFactory.hpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp, brains/Exclude.cpp,
-+
+        brains/MoleculeCreator.cpp, brains/SimCreator.cpp,
-+
+        brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        brains/SimSnapshotManager.cpp, brains/SimSnapshotManager.hpp,
-+
+        brains/SnapshotManager.hpp, brains/Stats.cpp,
-+
+        constraints/ZconsData.hpp, io/DumpWriter.cpp, io/LinkedAssign.hpp,
-+
+        io/ZConsReader.cpp, io/ZConsReader.hpp, io/ZConsWriter.hpp,
-+
+        io/basic_ifstrstream.hpp, primitives/Bend.hpp,
-+
+        primitives/GhostBend.cpp, primitives/GhostBend.hpp,
-+
+        types/MoleculeStamp.cpp, types/MoleculeStamp.hpp,
-+
+        types/OplsTorsionType.hpp, types/ShapeAtomType.hpp,
-+
+        utils/PropertyMap.hpp, utils/TypeContainer.hpp,
-+
+        visitors/AtomVisitor.cpp, visitors/CompositeVisitor.cpp,
-+
+        visitors/CompositeVisitor.hpp, visitors/OtherVisitor.cpp,
-+
+        visitors/OtherVisitor.hpp, visitors/RigidBodyVisitor.cpp,
-+
+        visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp: still
-+
+        have two linking problem
-+
-+
+-12-02 00:17  tim
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/simpleBuilder/Lattice.cpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp,
-+
+        constraints/ZConstraint.cpp, io/DumpWriter.cpp, io/ZConsReader.cpp,
-+
+        io/ZConsWriter.cpp, minimizers/CGFamilyMinimizer.cpp,
-+
+        minimizers/OOPSEMinimizer.cpp, minimizers/SDMinimizer.cpp,
-+
+        restraints/Restraints.cpp, visitors/AtomVisitor.cpp,
-+
+        visitors/OtherVisitor.cpp, visitors/RigidBodyVisitor.cpp,
-+
+        visitors/ZconsVisitor.cpp: change endl to std::endl
-+
-+
+-12-02 00:14  tim
-+
-+
+        * src/: UseTheForce/Shapes_FF.cpp,
-+
+        applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/simpleBuilder/BaseLattice.hpp,
-+
+        applications/simpleBuilder/Lattice.hpp,
-+
+        applications/simpleBuilder/LatticeCreator.hpp,
-+
+        applications/simpleBuilder/LatticeFactory.cpp,
-+
+        applications/simpleBuilder/LatticeFactory.hpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp, io/DumpWriter.cpp,
-+
+        io/LinkedAssign.hpp, io/basic_ifstrstream.hpp,
-+
+        minimizers/OOPSEMinimizer.hpp, utils/GenericData.hpp,
-+
+        utils/GenericFactory.hpp, visitors/CompositeVisitor.cpp,
-+
+        visitors/CompositeVisitor.hpp, visitors/RigidBodyVisitor.cpp,
-+
+        visitors/RigidBodyVisitor.hpp: minor fix
-+
-+
+-12-02 00:09  tim
-+
-+
+        * src/utils/: Makefile, StreamTokenizer.cpp, StreamTokenizer.hpp:
-+
+        remove StreamTokenizer
-+
-+
+-12-02 00:06  tim
-+
-+
+        * src/: UseTheForce/Shapes_FF.cpp,
-+
+        applications/dump2Xyz/Dump2XYZ.cpp, applications/oopse/oopse.cpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp, brains/Thermo.cpp,
-+
+        io/ZConsWriter.cpp, math/randomSPRNG.cpp,
-+
+        restraints/Restraints.cpp, utils/StreamTokenizer.cpp: remove using
-+
+        namespace std in .cpp file
-+
-+
+-12-02 00:04  tim
-+
-+
+        * src/: UseTheForce/Shapes_FF.cpp,
-+
+        applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/simpleBuilder/BaseLattice.hpp,
-+
+        applications/simpleBuilder/Lattice.cpp,
-+
+        applications/simpleBuilder/Lattice.hpp,
-+
+        applications/simpleBuilder/LatticeFactory.cpp,
-+
+        applications/simpleBuilder/LatticeFactory.hpp,
-+
+        applications/simpleBuilder/MoLocator.cpp,
-+
+        applications/simpleBuilder/MoLocator.hpp, brains/SkipList.cpp,
-+
+        brains/SkipList.hpp, constraints/ZconsData.hpp, io/ZConsReader.cpp,
-+
+        io/ZConsWriter.cpp, io/ZConsWriter.hpp,
-+
+        minimizers/MinimizerParameterSet.hpp,
-+
+        minimizers/OOPSEMinimizer.cpp, minimizers/OOPSEMinimizer.hpp,
-+
+        minimizers/PRCG.cpp, primitives/Atom.cpp, primitives/RigidBody.cpp,
-+
+        restraints/Restraints.cpp, restraints/Restraints.hpp,
-+
+        types/MoleculeStamp.cpp, types/MoleculeStamp.hpp,
-+
+        types/ShapeAtomType.cpp, types/ShapeAtomType.hpp,
-+
+        utils/GenericData.hpp, visitors/CompositeVisitor.cpp,
-+
+        visitors/CompositeVisitor.hpp, visitors/RigidBodyVisitor.cpp,
-+
+        visitors/RigidBodyVisitor.hpp, visitors/ZconsVisitor.cpp: adding
-+
+        qulified name prefix std
-+
-+
+-12-01 23:55  tim
-+
-+
+        * src/: UseTheForce/Shapes_FF.cpp,
-+
+        applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        applications/simpleBuilder/BaseLattice.hpp,
-+
+        applications/simpleBuilder/Lattice.hpp,
-+
+        applications/simpleBuilder/LatticeCreator.hpp,
-+
+        applications/simpleBuilder/LatticeFactory.cpp,
-+
+        applications/simpleBuilder/LatticeFactory.hpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp, io/DumpWriter.cpp,
-+
+        io/LinkedAssign.hpp, io/basic_ifstrstream.hpp,
-+
+        minimizers/OOPSEMinimizer.hpp, utils/GenericData.hpp,
-+
+        utils/GenericFactory.hpp, visitors/CompositeVisitor.cpp,
-+
+        visitors/CompositeVisitor.hpp, visitors/RigidBodyVisitor.cpp,
-+
+        visitors/RigidBodyVisitor.hpp: replace string by std::string
-+
-+
+-12-01 22:12  tim
-+
-+
+        * make/Makefile.in, src/UseTheForce/ForceFieldFactory.hpp,
-+
+        src/applications/simpleBuilder/BaseLattice.hpp,
-+
+        src/applications/simpleBuilder/Lattice.hpp,
-+
+        src/applications/simpleBuilder/LatticeCreator.hpp,
-+
+        src/applications/simpleBuilder/LatticeFactory.hpp,
-+
+        src/applications/simpleBuilder/MoLocator.hpp,
-+
+        src/brains/SimInfo.cpp, src/brains/SkipList.hpp,
-+
+        src/brains/Snapshot.hpp, src/constraints/ZconsData.hpp,
-+
+        src/integrators/IntegratorFactory.hpp, src/io/Globals.hpp,
-+
+        src/io/ZConsWriter.hpp, src/io/basic_ifstrstream.hpp,
-+
+        src/minimizers/OOPSEMinimizer.hpp, src/primitives/StuntDouble.hpp,
-+
+        src/types/MoleculeStamp.hpp, src/types/ShapeAtomType.hpp,
-+
+        src/utils/Makefile, src/utils/StringUtils.cpp,
-+
+        src/utils/StringUtils.hpp, src/utils/TypeInfo.hpp,
-+
+        src/utils/Utility.cpp, src/visitors/CompositeVisitor.hpp,
-+
+        src/visitors/RigidBodyVisitor.hpp, test/brains/DirectionalAtom.cpp,
-+
+        test/brains/RigidBody.cpp: replace misuse of using namespace std in
-+
+        header files
-+
-+
+-12-01 21:23  tim
-+
-+
+        * src/: primitives/Atom.hpp, primitives/RigidBody.hpp,
-+
+        primitives/StuntDouble.hpp, utils/TypeContainer.hpp,
-+
+        utils/Utility.cpp, utils/Utility.hpp, utils/next_combination.hpp:
-+
+        begin to fix linking problem
-+
-+
+-12-01 21:08  tim
-+
-+
+        * src/: applications/oopse/oopse.cpp, brains/Stats.cpp,
-+
+        brains/Thermo.cpp, brains/Thermo.hpp, integrators/Makefile,
-+
+        integrators/NPT.cpp, integrators/NPT.hpp, integrators/NPTf.cpp,
-+
+        integrators/NPTf.hpp, integrators/NPTi.cpp, integrators/NPTi.hpp,
-+
+        integrators/NPTxyz.cpp, integrators/VelocityVerletIntegrator.hpp,
-+
+        math/SquareMatrix3.hpp, primitives/Atom.hpp,
-+
+        primitives/RigidBody.hpp, primitives/StuntDouble.hpp,
-+
+        utils/OOPSEConstant.hpp, utils/StringUtils.cpp: oopse get compiled,
-+
+        still has some linking problem
-+
-+
+-12-01 19:26  tim
-+
-+
+        * src/: integrators/NVT.cpp, integrators/NVT.hpp,
-+
+        utils/OOPSEConstant.hpp: NVT get built
-+
-+
+-12-01 19:09  tim
-+
-+
+        * src/integrators/DLM.cpp: file DLM.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-12-01 19:09  tim
-+
-+
+        * src/integrators/DLM.hpp: file DLM.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-12-01 19:09  tim
-+
-+
+        * src/: brains/SimSnapshotManager.cpp, brains/Snapshot.hpp,
-+
+        brains/Stats.cpp, brains/Stats.hpp, brains/Thermo.cpp,
-+
+        brains/Thermo.hpp, integrators/DLM.cpp, integrators/DLM.hpp,
-+
+        integrators/Integrator.hpp, integrators/Makefile,
-+
+        integrators/NVE.cpp, integrators/NVE.hpp,
-+
+        integrators/RotationAlgorithm.hpp,
-+
+        integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp, io/DumpWriter.hpp: NVE
-+
+        get built
-+
-+
+-12-01 19:09  tim
-+
-+
+        * src/integrators/RotationAlgorithm.hpp: file RotationAlgorithm.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-12-01 17:45  tim
-+
-+
+        * src/: UseTheForce/DarkSide/atype.F90, integrators/Integrator.hpp,
-+
+        integrators/IntegratorFactory.cpp,
-+
+        integrators/IntegratorFactory.hpp, integrators/Makefile,
-+
+        integrators/Velocitizer.cpp, integrators/Velocitizer.hpp,
-+
+        integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp, io/DumpWrite.hpp,
-+
+        io/DumpWriter.cpp, io/DumpWriter.hpp, io/StatWriter.cpp,
-+
+        io/StatWriter.hpp: rename DumpWrite to DumpWriter
-+
-+
+-12-01 17:45  tim
-+
-+
+        * src/io/DumpWriter.hpp: file DumpWriter.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-12-01 15:05  tim
-+
-+
+        * src/: io/Makefile, io/ZConsReader.cpp, io/ZConsReader.hpp,
-+
+        io/ZConsWriter.hpp, math/Vector3.hpp, utils/Makefile,
-+
+        utils/Utility.cpp, utils/Utility.hpp, visitors/AtomData.hpp,
-+
+        visitors/BaseVisitor.hpp, visitors/OtherVisitor.cpp,
-+
+        visitors/OtherVisitor.hpp, visitors/ZconsVisitor.cpp,
-+
+        visitors/ZconsVisitor.hpp: visitors get built
-+
-+
+-12-01 14:32  chrisfen
-+
-+
+        * samples/water/tip3p_ice/tp3.md: fixed a sample
-+
-+
+-12-01 14:10  tim
-+
-+
+        * src/math/RectMatrix.hpp, src/primitives/DirectionalAtom.cpp,
-+
+        src/primitives/DirectionalAtom.hpp, src/primitives/GhostBend.cpp,
-+
+        src/types/AtomType.hpp, src/utils/Utility.hpp,
-+
+        src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp,
-+
+        src/visitors/AtomVisitor.hpp, test/math/RectMatrixTestCase.cpp:
-+
+        spell check
-+
-+
+-12-01 13:42  tim
-+
-+
+        * src/: UseTheForce/DarkSide/atype.F90,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.hpp, primitives/Atom.hpp,
-+
+        primitives/DirectionalAtom.cpp, primitives/RigidBody.cpp,
-+
+        primitives/StuntDouble.hpp, types/AtomType.cpp: except integrator
-+
+        and constraint, other directories get built
-+
-+
+-12-01 12:38  tim
-+
-+
+        * src/: brains/DataStorage.cpp, brains/DataStorage.hpp,
-+
+        brains/ForceManager.cpp, brains/MoleculeCreator.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.hpp,
-+
+        primitives/DirectionalAtom.cpp, primitives/DirectionalAtom.hpp,
-+
+        primitives/GhostBend.cpp, primitives/RigidBody.cpp,
-+
+        primitives/RigidBody.hpp, primitives/StuntDouble.hpp,
-+
+        types/AtomType.cpp, types/AtomType.hpp, types/AtomTypeProperties.h,
-+
+        types/DirectionalAtomType.cpp, types/DirectionalAtomType.hpp:
-+
+        refactory AtomType
-+
-+
+-11-30 22:11  tim
-+
-+
+        * src/: math/Vector.hpp, primitives/RigidBody.cpp: minor change
-+
-+
+-11-30 21:30  tim
-+
-+
+        * src/utils/: NumericConstant.cpp, NumericConstant.hpp: Change
-+
+        NumericConstant
-+
-+
+-11-30 21:24  tim
-+
-+
+        * src/: UseTheForce/ForceField.cpp, io/SectionParser.cpp,
-+
+        primitives/RigidBody.cpp: minor fix
-+
-+
+-11-30 18:14  tim
-+
-+
+        * src/: brains/Stats.hpp, io/DumpReader.cpp, io/DumpReader.hpp,
-+
+        io/DumpWrite.hpp, io/DumpWriter.cpp, io/Makefile,
-+
+        io/StatWriter.cpp, io/StatWriter.hpp, utils/StringTokenizer.hpp: io
-+
+        get built, next is integrator
-+
-+
+-11-30 17:43  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
-+
+        UseTheForce/ForceField.hpp, brains/SimCreator.cpp,
-+
+        brains/SimCreator.hpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        io/BASS_interface.cpp, primitives/StuntDouble.hpp,
-+
+        utils/StringUtils.hpp: brains get built
-+
-+
+-11-30 15:50  tim
-+
-+
+        * src/: brains/ForceManager.cpp, brains/Makefile,
-+
+        brains/MoleculeCreator.cpp, brains/MoleculeCreator.hpp,
-+
+        primitives/RigidBody.cpp, primitives/RigidBody.hpp,
-+
+        utils/StringUtils.hpp: brains get built, io is next
-+
-+
+-11-30 14:58  tim
-+
-+
+        * src/: brains/Exclude.cpp, brains/Exclude.hpp,
-+
+        brains/ForceManager.cpp, brains/ForceManager.hpp,
-+
+        brains/MoleculeCreator.cpp, brains/SimCreator.hpp,
-+
+        brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        brains/SimSnapshotManager.cpp, brains/SimSnapshotManager.hpp,
-+
+        brains/SnapShot.cpp, brains/Stats.cpp, brains/Stats.hpp,
-+
+        brains/Thermo.cpp, brains/Thermo.hpp, io/Makefile,
-+
+        math/SquareMatrix3.hpp, utils/OOPSEConstant.hpp: fix Thermo
-+
-+
+-11-30 14:58  tim
-+
-+
+        * src/utils/OOPSEConstant.hpp: file OOPSEConstant.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-30 12:54  tim
-+
-+
+        * src/: primitives/Bend.hpp, primitives/Bond.hpp,
-+
+        primitives/StuntDouble.hpp, primitives/Torsion.hpp,
-+
+        utils/LocalIndexManager.hpp: more get fixed
-+
-+
+-11-30 00:03  tim
-+
-+
+        * src/utils/LocalIndexManager.hpp: file LocalIndexManager.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-30 00:03  tim
-+
-+
+        * src/utils/: LocalIndexManager.hpp, LocalndexManager.hpp: rename
-+
+        LocalndexManager.hpp to LocalIndexManager.hpp
-+
-+
+-11-29 23:43  tim
-+
-+
+        * src/: io/BendTypesSectionParser.cpp,
-+
+        io/BendTypesSectionParser.hpp, io/BondTypesSectionParser.cpp,
-+
+        io/BondTypesSectionParser.hpp, io/SectionParserManager.cpp,
-+
+        io/SectionParserManager.hpp, io/TorsionTypesSectionParser.cpp,
-+
+        types/PolynomialBendType.hpp, types/PolynomialBondType.hpp,
-+
+        types/PolynomialTorsionType.hpp: Section Parsers get compiled
-+
-+
+-11-29 23:14  tim
-+
-+
+        * src/: io/BendTypesSectionParser.cpp,
-+
+        io/BendTypesSectionParser.hpp, io/BondTypesSectionParser.cpp,
-+
+        io/BondTypesSectionParser.hpp, io/TorsionTypesSectionParser.cpp,
-+
+        types/PolynomialBendType.hpp, types/PolynomialBondType.hpp: minor
-+
+        fixed
-+
-+
+-11-29 22:49  tim
-+
-+
+        * src/: io/TorsionTypesSectionParser.cpp,
-+
+        io/TorsionTypesSectionParser.hpp, types/CharmmTorsionType.hpp,
-+
+        types/CubicTorsionType.hpp, types/PolynomialBendType.hpp,
-+
+        types/PolynomialBondType.hpp, types/PolynomialTorsionType.hpp,
-+
+        types/QuarticTorsionType.hpp: minor fixed
-+
-+
+-11-29 22:32  tim
-+
-+
+        * src/: io/TorsionTypesSectionParser.cpp,
-+
+        types/PolynomialBendType.hpp, types/PolynomialBondType.hpp,
-+
+        types/PolynomialTorsionType.hpp: #inlcude statement can not be
-+
+        embedded
-+
-+
+-11-29 16:42  tim
-+
-+
+        * test/math/: Makefile, PolynomialTestCase.cpp,
-+
+        PolynomialTestCase.hpp: add PolynomialTestCase
-+
-+
+-11-29 16:42  tim
-+
-+
+        * src/math/Polynomial.hpp: Polynomial passes unit test
-+
-+
+-11-29 15:03  tim
-+
-+
+        * src/types/: QuarticTorsion.hpp, QuarticTorsionType.hpp: rename
-+
+        QuarticTorsion.hpp to QuarticTorsionType.hpp
-+
-+
+-11-29 15:03  tim
-+
-+
+        * src/types/QuarticTorsionType.hpp: file QuarticTorsionType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-29 14:56  tim
-+
-+
+        * src/types/CubicTorsionType.hpp: file CubicTorsionType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-29 14:56  tim
-+
-+
+        * src/types/: CubicTorsionType.hpp, QuarticTorsion.hpp: add
-+
+        CubicTorsionType and QuarticTorsionType
-+
-+
+-11-29 14:56  tim
-+
-+
+        * src/types/QuarticTorsion.hpp: file QuarticTorsion.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-29 13:00  tim
-+
-+
+        * src/: brains/DataStorage.hpp, brains/Snapshot.hpp,
-+
+        types/CubicBendType.hpp, types/CubicBondType.hpp,
-+
+        types/QuarticBendType.hpp, types/QuarticBondType.hpp: more file get
-+
+        fixed
-+
-+
+-11-29 12:59  tim
-+
-+
+        * src/utils/Trim.hpp: file Trim.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-29 12:59  tim
-+
-+
+        * src/utils/: StringUtils.cpp, StringUtils.hpp, Trim.hpp: add Trim
-+
+        Algorithm for std::string
-+
-+
+-11-29 10:52  tim
-+
-+
+        * src/UseTheForce/: EAM.cpp, EAM.hpp, LJFF.cpp, LJFF.hpp: remove
-+
+        some useless files
-+
-+
+-11-29 10:50  tim
-+
-+
+        * src/io/: BondTypesSectionParser.cpp,
-+
+        ChargeAtomTypesSectionParser.cpp, DipoleAtomTypesSectionParser.cpp,
-+
+        ElectrostaticAtomTypesSectionParser.cpp,
-+
+        HarmonicBondTypesSectionParser.cpp,
-+
+        HarmonicBondTypesSectionParser.hpp,
-+
+        LennardJonesAtomTypesSectionParser.cpp, Makefile,
-+
+        SectionParserManager.cpp, StickyAtomTypesSectionParser.cpp,
-+
+        StickyAtomTypesSectionParser.hpp: more files get fixed
-+
-+
+-11-29 10:27  tim
-+
-+
+        * src/io/: AtomTypesSectionParser.cpp, BendTypesSectionParser.cpp,
-+
+        DirectionalAtomTypesSectionParser.cpp,
-+
+        EAMAtomTypesSectionParser.cpp, EAMAtomTypesSectionParser.hpp,
-+
+        Makefile, SectionParser.cpp, SectionParser.hpp,
-+
+        SectionParserManager.cpp, SectionParserManager.hpp: part of io get
-+
+        built
-+
-+
+-11-29 09:49  tim
-+
-+
+        * src/types/UreyBradleyBendType.hpp: types get built
-+
-+
+-11-29 09:40  tim
-+
-+
+        * src/types/: AtomType.cpp, AtomType.hpp, DirectionalAtomType.cpp:
-+
+        types  get built
-+
-+
+-11-25 21:13  tim
-+
-+
+        * src/: UseTheForce/ForceField.hpp,
-+
+        io/DirectionalAtomTypesSectionParser.cpp, math/Polynomial.hpp,
-+
+        types/CubicBendType.hpp, types/PolynomialBendType.hpp: rename some
-+
+        files
-+
-+
+-11-25 15:18  tim
-+
-+
+        * src/types/QuarticBondType.hpp: file QuarticBondType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-25 15:18  tim
-+
-+
+        * src/: io/AtomTypesSectionParser.cpp,
-+
+        io/BondTypesSectionParser.cpp,
-+
+        io/DirectionalAtomTypesSectionParser.cpp,
-+
+        types/QuadraticBendType.hpp, types/QuadraticBondType.hpp,
-+
+        types/QuarticBendType.hpp, types/QuarticBondType.hpp: rename some
-+
+        files
-+
-+
+-11-25 15:18  tim
-+
-+
+        * src/types/QuarticBendType.hpp: file QuarticBendType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-24 17:12  tim
-+
-+
+        * src/: io/AtomTypesSectionParser.cpp,
-+
+        io/AtomTypesSectionParser.hpp, io/BendTypesSectionParser.cpp,
-+
+        io/BendTypesSectionParser.hpp, io/BondTypesSectionParser.cpp,
-+
+        io/BondTypesSectionParser.hpp, io/ChargeAtomTypesSectionParser.cpp,
-+
+        io/ChargeAtomTypesSectionParser.hpp,
-+
+        io/DipoleAtomTypesSectionParser.cpp,
-+
+        io/DipoleAtomTypesSectionParser.hpp,
-+
+        io/DirectionalAtomTypesSectionParser.hpp, io/DumpReader.cpp,
-+
+        io/DumpReader.hpp, io/EAMAtomTypesSectionParser.cpp,
-+
+        io/EAMAtomTypesSectionParser.hpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.hpp,
-+
+        io/HarmonicBondTypesSectionParser.hpp,
-+
+        io/LennardJonesAtomTypesSectionParser.cpp,
-+
+        io/LennardJonesAtomTypesSectionParser.hpp, io/Makefile,
-+
+        io/SectionParser.hpp, io/SectionParserManager.hpp,
-+
+        io/StickyAtomTypesSectionParser.cpp,
-+
+        io/StickyAtomTypesSectionParser.hpp,
-+
+        io/TorsionTypesSectionParser.cpp, io/TorsionTypesSectionParser.hpp,
-+
+        utils/LocalndexManager.hpp, utils/TypeContainer.hpp: more get built
-+
-+
+-11-24 16:33  tim
-+
-+
+        * src/UseTheForce/: DUFF.cpp, DUFF.hpp, EAM.cpp, ForceField.cpp,
-+
+        ForceField.hpp, ForceFieldFactory.cpp, ForceFieldFactory.hpp,
-+
+        LJFF.cpp, Makefile: UseTheForce get built
-+
-+
+-11-24 15:55  tim
-+
-+
+        * src/: math/RectMatrix.hpp, primitives/Bend.cpp,
-+
+        primitives/Bend.hpp, primitives/Bond.hpp, primitives/GhostBend.cpp,
-+
+        primitives/Makefile, primitives/Molecule.cpp,
-+
+        primitives/Molecule.hpp, primitives/RigidBody.cpp,
-+
+        primitives/StuntDouble.hpp, primitives/Torsion.cpp,
-+
+        primitives/Torsion.hpp, primitives/UreyBradleyBend.cpp,
-+
+        primitives/UreyBradleyBend.hpp: types and primitives get built
-+
-+
+-11-24 14:49  tim
-+
-+
+        * test/utils/: Makefile, NextCombinationTestCase.cpp,
-+
+        StringTokenizerTestCase.cpp, StringTokenizerTestCase.hpp: Addint
-+
+        StringTokenizerTestCase
-+
-+
+-11-24 14:49  tim
-+
-+
+        * src/utils/: GenericData.hpp, StringTokenizer.cpp,
-+
+        StringTokenizer.hpp: StringTokenizer passes unit test
-+
-+
+-11-24 13:20  tim
-+
-+
+        * ChangeLog, make/Makefile.in, src/UseTheForce/Makefile,
-+
+        src/io/Makefile, src/primitives/Makefile, src/utils/Makefile:
-+
+        change Makefile
-+
-+
+-11-24 13:06  chrisfen
-+
-+
+        * src/io/RestraintReader.cpp: improved restraints - mpi should work
-+
+        fine
-+
-+
+-11-24 13:06  chrisfen
-+
-+
+        * src/integrators/Integrator.cpp: improved restraints
-+
-+
+-11-24 13:05  chrisfen
-+
-+
+        * samples/water/tip3p_ice/tp3.md: oops...
-+
-+
+-11-24 12:42  tim
-+
-+
+        * src/: applications/oopse/oopse.cpp, brains/DataStorage.cpp,
-+
+        brains/DataStorage.hpp, brains/SimCreator.cpp,
-+
+        brains/SimCreator.hpp, integrators/Integrator.hpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp,
-+
+        primitives/DirectionalAtom.cpp: add SetForceManager method to
-+
+        integrator
-+
-+
+-11-23 18:12  tim
-+
-+
+        * src/: brains/MoleculeCreator.cpp, integrators/Integrator.hpp,
-+
+        integrators/NPT.cpp, integrators/NPT.hpp, integrators/NPTf.cpp,
-+
+        integrators/NPTf.hpp, integrators/NPTi.cpp, integrators/NPTi.hpp,
-+
+        integrators/NPTxyz.cpp, integrators/NPTxyz.hpp,
-+
+        integrators/NVE.cpp, integrators/NVE.hpp, integrators/NVT.cpp,
-+
+        integrators/NVT.hpp, integrators/Velocitizer.cpp,
-+
+        integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp,
-+
+        types/UreyBradleyBendType.hpp: refactory NPT integrator
-+
-+
+-11-23 17:50  chrisfen
-+
-+
+        * samples/water/tip3p_ice/tp3.md: Back to normal... Oh...
-+
+        Restraints should work in parallel now
-+
-+
+-11-23 17:48  chrisfen
-+
-+
+        * src/: UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
-+
+        brains/ForceFields.cpp, brains/SimInfo.hpp, brains/SimSetup.cpp,
-+
+        integrators/Integrator.cpp, integrators/Integrator.hpp,
-+
+        io/DumpWriter.cpp, io/Makefile, io/ReadWrite.hpp,
-+
+        io/RestraintReader.cpp, io/RestraintWriter.cpp,
-+
+        restraints/Restraints.cpp, restraints/Restraints.hpp: Improvements
-+
+        to restraints
-+
-+
+-11-23 17:47  chrisfen
-+
-+
+        * samples/water/tip3p_ice/tp3.md: just some testing changes, I'll
-+
+        return to the original on next commit
-+
-+
+-11-23 12:53  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
-+
+        UseTheForce/ForceField.cpp, UseTheForce/ForceField.hpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp,
-+
+        io/ChargeAtomTypesSectionParser.cpp,
-+
+        io/DirectionalAtomTypesSectionParser.hpp,
-+
+        io/EAMAtomTypesSectionParser.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.cpp,
-+
+        io/ElectrostaticAtomTypesSectionParser.hpp, io/SectionParser.cpp,
-+
+        io/SectionParser.hpp, types/DirectionalAtomType.cpp,
-+
+        utils/TypeContainer.hpp: add Electrostatic AtomType Section Parser
-+
-+
+-11-23 12:53  tim
-+
-+
+        * src/io/ElectrostaticAtomTypesSectionParser.hpp: file
-+
+        ElectrostaticAtomTypesSectionParser.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-23 12:53  tim
-+
-+
+        * src/io/ElectrostaticAtomTypesSectionParser.cpp: file
-+
+        ElectrostaticAtomTypesSectionParser.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-23 01:03  tim
-+
-+
+        * src/: io/EAMAtomTypesSectionParser.cpp,
-+
+        io/EAMAtomTypesSectionParser.hpp, types/AtomType.cpp,
-+
+        types/AtomType.hpp, types/DirectionalAtomType.cpp,
-+
+        types/DirectionalAtomType.hpp: add EAM AtomType Section Parser
-+
-+
+-11-23 01:03  tim
-+
-+
+        * src/types/DirectionalAtomType.cpp: file DirectionalAtomType.cpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-23 01:03  tim
-+
-+
+        * src/io/EAMAtomTypesSectionParser.hpp: file
-+
+        EAMAtomTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-23 01:03  tim
-+
-+
+        * src/io/EAMAtomTypesSectionParser.cpp: file
-+
+        EAMAtomTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 23:35  tim
-+
-+
+        * src/io/TorsionTypesSectionParser.hpp: file
-+
+        TorsionTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 23:35  tim
-+
-+
+        * src/io/BendTypesSectionParser.hpp: file
-+
+        BendTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 23:35  tim
-+
-+
+        * src/io/BondTypesSectionParser.hpp: file
-+
+        BondTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 23:35  tim
-+
-+
+        * src/io/BondTypesSectionParser.cpp: file
-+
+        BondTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 23:35  tim
-+
-+
+        * src/io/TorsionTypesSectionParser.cpp: file
-+
+        TorsionTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 23:35  tim
-+
-+
+        * src/io/: BendTypesSectionParser.cpp, BendTypesSectionParser.hpp,
-+
+        BondTypesSectionParser.cpp, BondTypesSectionParser.hpp,
-+
+        TorsionTypesSectionParser.cpp, TorsionTypesSectionParser.hpp: add
-+
+        BondTypesSectionParser, BendTypesSectionParser and
-+
+        TorsionTypeSectionParser
-+
-+
+-11-22 23:35  tim
-+
-+
+        * src/io/BendTypesSectionParser.cpp: file
-+
+        BendTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 18:04  tim
-+
-+
+        * src/UseTheForce/: DUFF.cpp, EAM.cpp, EAM.hpp: minor change in
-+
+        DUFF and EAM
-+
-+
+-11-22 18:02  tim
-+
-+
+        * src/io/: DirectionalAtomTypesParser.hpp,
-+
+        DirectionalAtomTypesSectionParser.hpp: adding section parsers
-+
-+
+-11-22 18:02  tim
-+
-+
+        * src/io/DirectionalAtomTypesSectionParser.hpp: file
-+
+        DirectionalAtomTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/DipoleAtomTypesSectionParser.hpp: file
-+
+        DipoleAtomTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/AtomTypesSectionParser.hpp: file
-+
+        AtomTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/HarmonicBondTypesSectionParser.hpp: file
-+
+        HarmonicBondTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/StickyAtomTypesSectionParser.cpp: file
-+
+        StickyAtomTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/LennardJonesAtomTypesSectionParser.hpp: file
-+
+        LennardJonesAtomTypesSectionParser.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/HarmonicBondTypesSectionParser.cpp: file
-+
+        HarmonicBondTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/DirectionalAtomTypesSectionParser.cpp: file
-+
+        DirectionalAtomTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/SectionParserManager.cpp: file SectionParserManager.cpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/AtomTypesSectionParser.cpp: file
-+
+        AtomTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/ChargeAtomTypesSectionParser.cpp: file
-+
+        ChargeAtomTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/DipoleAtomTypesSectionParser.cpp: file
-+
+        DipoleAtomTypesSectionParser.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/LennardJonesAtomTypesSectionParser.cpp: file
-+
+        LennardJonesAtomTypesSectionParser.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/ChargeAtomTypesSectionParser.hpp: file
-+
+        ChargeAtomTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/StickyAtomTypesSectionParser.hpp: file
-+
+        StickyAtomTypesSectionParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/SectionParser.hpp: file SectionParser.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/ForceField.hpp,
-+
+        brains/SimSnapshotManager.cpp, brains/SnapShot.cpp,
-+
+        brains/Snapshot.hpp, integrators/NVE.cpp, integrators/NVT.cpp,
-+
+        integrators/NVT.hpp, io/AtomTypesSectionParser.cpp,
-+
+        io/AtomTypesSectionParser.hpp, io/ChargeAtomTypesSectionParser.cpp,
-+
+        io/ChargeAtomTypesSectionParser.hpp,
-+
+        io/DipoleAtomTypesSectionParser.cpp,
-+
+        io/DipoleAtomTypesSectionParser.hpp,
-+
+        io/DirectionalAtomTypesParser.hpp,
-+
+        io/DirectionalAtomTypesSectionParser.cpp,
-+
+        io/HarmonicBondTypesSectionParser.cpp,
-+
+        io/HarmonicBondTypesSectionParser.hpp,
-+
+        io/LennardJonesAtomTypesSectionParser.cpp,
-+
+        io/LennardJonesAtomTypesSectionParser.hpp, io/SectionParser.cpp,
-+
+        io/SectionParser.hpp, io/SectionParserManager.cpp,
-+
+        io/SectionParserManager.hpp, io/StickyAtomTypesSectionParser.cpp,
-+
+        io/StickyAtomTypesSectionParser.hpp, primitives/StuntDouble.hpp,
-+
+        types/AtomType.hpp, types/DirectionalAtomType.hpp,
-+
+        utils/GenericData.hpp: adding section parsers
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/DirectionalAtomTypesParser.hpp: file
-+
+        DirectionalAtomTypesParser.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/SectionParserManager.hpp: file SectionParserManager.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-22 15:55  tim
-+
-+
+        * src/io/SectionParser.cpp: file SectionParser.cpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-19 17:12  tim
-+
-+
+        * src/types/FixedBondType.hpp: file FixedBondType.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-19 17:12  tim
-+
-+
+        * src/: brains/SimState.cpp, brains/SimState.hpp,
-+
+        io/InitializeFromFile.cpp, types/FixBondType.hpp,
-+
+        types/FixedBondType.hpp: remove more useless files
-+
-+
+-11-19 16:47  tim
-+
-+
+        * src/: UseTheForce/EAM_FF.cpp, UseTheForce/WATER.cpp,
-+
+        integrators/Integrator.cpp, applications/Makedepend: remove more
-+
+        useless files
-+
-+
+-11-19 16:38  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
-+
+        UseTheForce/EAM.cpp, integrators/NPT.hpp, integrators/NPTf.hpp,
-+
+        integrators/NPTi.hpp, integrators/NPTxyz.hpp, integrators/NVT.cpp,
-+
+        integrators/NVT.hpp: refactory integrator
-+
-+
+-11-19 16:38  tim
-+
-+
+        * src/integrators/NPTi.hpp: file NPTi.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-19 16:38  tim
-+
-+
+        * src/integrators/NPTf.hpp: file NPTf.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-19 16:38  tim
-+
-+
+        * src/integrators/NPT.hpp: file NPT.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-19 16:38  tim
-+
-+
+        * src/integrators/NPTxyz.hpp: file NPTxyz.hpp was initially added
-+
+        on branch new_design.
-+
-+
+-11-19 16:38  tim
-+
-+
+        * src/integrators/NVT.hpp: file NVT.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-19 15:37  tim
-+
-+
+        * forceFields/newDUFF.frc: new DUFF forcefield
-+
-+
+-11-19 15:23  tim
-+
-+
+        * src/UseTheForce/EAM.hpp: file EAM.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-19 15:23  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM.cpp,
-+
+        UseTheForce/EAM.hpp, UseTheForce/ForceField.hpp,
-+
+        utils/TypeContainer.hpp: add EAM
-+
-+
+-11-19 15:23  tim
-+
-+
+        * src/UseTheForce/EAM.cpp: file EAM.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-19 13:02  tim
-+
-+
+        * src/UseTheForce/: DUFF.cpp, DUFF.hpp: DUFF is almost done except
-+
+        error checking
-+
-+
+-11-19 12:56  tim
-+
-+
+        * src/integrators/IntegratorFactory.hpp: file IntegratorFactory.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-19 12:56  tim
-+
-+
+        * src/integrators/IntegratorFactory.cpp: file IntegratorFactory.cpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-19 12:56  tim
-+
-+
+        * src/types/FixBondType.hpp: file FixBondType.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-19 12:56  tim
-+
-+
+        * src/: integrators/NVE.cpp, UseTheForce/DUFF.cpp,
-+
+        UseTheForce/DUFF.hpp, UseTheForce/ForceField.cpp,
-+
+        UseTheForce/ForceField.hpp, UseTheForce/ForceFieldFactory.cpp,
-+
+        integrators/IntegratorFactory.cpp,
-+
+        integrators/IntegratorFactory.hpp, integrators/NVE.hpp,
-+
+        integrators/VelocityVerletIntegrator.hpp, types/FixBondType.hpp,
-+
+        utils/StringTokenizer.cpp: DUFF is almost done except error
-+
+        checking
-+
-+
+-11-18 19:11  tim
-+
-+
+        * src/UseTheForce/DUFF.cpp: adding DUFF parser
-+
-+
+-11-18 18:26  tim
-+
-+
+        * src/integrators/Velocitizer.cpp: file Velocitizer.cpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-18 18:26  tim
-+
-+
+        * src/: UseTheForce/DUFF.hpp, integrators/NVE.cpp,
-+
+        integrators/Velocitizer.cpp, integrators/Velocitizer.hpp,
-+
+        integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp,
-+
+        types/CharmmTorsionType.cpp, types/CharmmTorsionType.hpp,
-+
+        types/CubicBendType.hpp, types/CubicBondType.hpp,
-+
+        types/HarmonicBondType.hpp, types/QuadraticBendType.hpp,
-+
+        types/QuadraticBondType.hpp, types/UreyBradleyBendType.hpp: adding
-+
+        DUFF parser
-+
-+
+-11-18 16:42  tim
-+
-+
+        * forceFields/newDUFF.frc: adding new format DUFF force field
-+
-+
+-11-18 10:57  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/LJ.F90: Fixed a mixing list bug that
-+
+        slowed down the force loop
-+
-+
+-11-18 00:42  tim
-+
-+
+        * src/utils/NumericConstant.cpp: file NumericConstant.cpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-18 00:42  tim
-+
-+
+        * src/utils/NumericConstant.hpp: file NumericConstant.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-18 00:42  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/LJFF.cpp,
-+
+        primitives/Bend.cpp, utils/NumericConstant.cpp,
-+
+        utils/NumericConstant.hpp: Adding NumericConstant class
-+
-+
+-11-17 23:16  tim
-+
-+
+        * src/: applications/quickLate.c, UseTheForce/ForceFields.cpp,
-+
+        UseTheForce/ForceFields.hpp: remove more junk files
-+
-+
+-11-17 23:12  tim
-+
-+
+        * src/: brains/ForceFields.cpp, brains/SimSetup.cpp,
-+
+        brains/SimSetup.hpp, constraints/AbstractClasses.hpp,
-+
+        integrators/AbstractClasses.hpp, integrators/AllIntegrator.hpp,
-+
+        primitives/AbstractClasses.hpp, primitives/Bond.cpp,
-+
+        primitives/BondExtensions.cpp, primitives/SRI.hpp,
-+
+        primitives/TorsionExtensions.cpp: remove some junk files
-+
-+
+-11-17 23:07  tim
-+
-+
+        * src/primitives/BendExtensions.cpp: remove some junk files
-+
-+
+-11-17 23:04  tim
-+
-+
+        * src/types/: PolynomialTorsionType.hpp, QuadraticBendType.hpp,
-+
+        QuadraticBondType.hpp: refine QudraticBond
-+
-+
+-11-17 22:57  tim
-+
-+
+        * src/types/QuadraticBendType.hpp: add QuadraticBendType.hpp
-+
-+
+-11-17 22:57  tim
-+
-+
+        * src/types/QuadraticBendType.hpp: file QuadraticBendType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-17 16:47  tim
-+
-+
+        * src/types/UreyBradleyBendType.hpp: file UreyBradleyBendType.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-17 16:47  tim
-+
-+
+        * src/types/CubicBendType.hpp: file CubicBendType.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-17 16:47  tim
-+
-+
+        * src/primitives/GhostBend.hpp: file GhostBend.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-17 16:47  tim
-+
-+
+        * src/types/QuadraticBondType.hpp: file QuadraticBondType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-17 16:47  tim
-+
-+
+        * src/primitives/UreyBradleyBend.cpp: file UreyBradleyBend.cpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-17 16:47  tim
-+
-+
+        * src/primitives/UreyBradleyBend.hpp: file UreyBradleyBend.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-17 16:47  tim
-+
-+
+        * src/types/CubicBondType.hpp: file CubicBondType.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-17 16:47  tim
-+
-+
+        * src/: math/ChebyshevPolynomials.cpp,
-+
+        math/ChebyshevPolynomials.hpp, primitives/Bend.cpp,
-+
+        primitives/Bend.hpp, primitives/GhostBend.cpp,
-+
+        primitives/GhostBend.hpp, primitives/UreyBradleyBend.cpp,
-+
+        primitives/UreyBradleyBend.hpp, types/BondType.hpp,
-+
+        types/CubicBendType.hpp, types/CubicBondType.hpp,
-+
+        types/HarmonicBondType.hpp, types/MorseBondType.hpp,
-+
+        types/QuadraticBondType.hpp, types/UreyBradleyBendType.hpp:
-+
+        UreyBradleyBend and GhostBend
-+
-+
+-11-17 13:58  tim
-+
-+
+        * src/math/ChebyshevPolynomials.cpp: file ChebyshevPolynomials.cpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-17 13:58  tim
-+
-+
+        * src/math/ChebyshevPolynomials.hpp: file ChebyshevPolynomials.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-17 13:58  tim
-+
-+
+        * src/: math/ChebyshevPolynomials.cpp,
-+
+        math/ChebyshevPolynomials.hpp, math/Polynomial.hpp,
-+
+        primitives/Bond.hpp, types/CharmmTorsionType.hpp,
-+
+        types/OplsTorsionType.hpp, types/PolynomialBondType.hpp,
-+
+        types/PolynomialTorsionType.hpp, types/TorsionType.hpp: more types
-+
+        stuff and Chebyshev Polynomial
-+
-+
+-11-17 13:58  tim
-+
-+
+        * src/types/OplsTorsionType.hpp: file OplsTorsionType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-17 01:37  tim
-+
-+
+        * src/types/PolynomialTorsionType.hpp: file
-+
+        PolynomialTorsionType.hpp was initially added on branch new_design.
-+
-+
+-11-17 01:37  tim
-+
-+
+        * src/types/CharmmTorsionType.cpp: file CharmmTorsionType.cpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-17 01:37  tim
-+
-+
+        * src/: math/Polynomial.hpp, primitives/Bend.cpp,
-+
+        primitives/Bend.hpp, primitives/Torsion.cpp, types/BendType.hpp,
-+
+        types/BondType.hpp, types/CharmmTorsionType.cpp,
-+
+        types/CharmmTorsionType.hpp, types/HarmonicBendType.hpp,
-+
+        types/HarmonicBondType.hpp, types/MorseBondType.hpp,
-+
+        types/PolynomialBendType.hpp, types/PolynomialBondType.hpp,
-+
+        types/PolynomialTorsionType.hpp, types/TorsionType.hpp,
-+
+        utils/StringTokenizer.hpp: add  PolynomialBondType,
-+
+        PolynomialBendType, PolynomialTorsionType, HarmonicBendType and
-+
+        CharmmTorsionType. Need to refine the design and add document for
-+
+        them
-+
-+
+-11-17 01:37  tim
-+
-+
+        * src/types/CharmmTorsionType.hpp: file CharmmTorsionType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-17 01:37  tim
-+
-+
+        * src/types/HarmonicBendType.hpp: file HarmonicBendType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-17 01:37  tim
-+
-+
+        * src/types/PolynomialBendType.hpp: file PolynomialBendType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-16 20:11  tim
-+
-+
+        * src/types/: BendType.hpp, PolynomialBondType.hpp,
-+
+        TorsionType.hpp: add PolynomialBondType
-+
-+
+-11-16 20:11  tim
-+
-+
+        * src/types/PolynomialBondType.hpp: file PolynomialBondType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-16 18:20  tim
-+
-+
+        * src/math/Polynomial.hpp: file Polynomial.hpp was initially added
-+
+        on branch new_design.
-+
-+
+-11-16 18:20  tim
-+
-+
+        * src/math/Polynomial.hpp: Adding Polynomial class
-+
-+
+-11-16 17:04  gezelter
-+
-+
+        * src/types/MorseBondType.hpp: file MorseBondType.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-16 17:04  gezelter
-+
-+
+        * src/types/HarmonicBondType.hpp: file HarmonicBondType.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-16 17:04  gezelter
-+
-+
+        * src/types/: BendType.hpp, BondType.hpp, HarmonicBondType.hpp,
-+
+        MorseBondType.hpp, TorsionType.hpp: added some new stuff
-+
-+
+-11-16 15:36  tim
-+
-+
+        * src/: primitives/Bend.cpp, primitives/Bend.hpp,
-+
+        primitives/Torsion.cpp, primitives/Torsion.hpp, types/BendType.hpp,
-+
+        types/BondType.hpp, types/TorsionType.hpp: BondType, BendType and
-+
+        TorsionType
-+
-+
+-11-15 21:07  tim
-+
-+
+        * src/UseTheForce/DUFF.hpp: file DUFF.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-15 21:07  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
-+
+        UseTheForce/LJFF.cpp, UseTheForce/LJFF.hpp,
-+
+        utils/StringTokenizer.cpp: adding DUFF class; adding checking
-+
+        statement to nextTokenAsInt and nextTokenAsFloat in StringTokenizer
-+
-+
+-11-15 18:00  tim
-+
-+
+        * src/: UseTheForce/ForceField.cpp, UseTheForce/ForceField.hpp,
-+
+        UseTheForce/ForceFieldFactory.cpp,
-+
+        UseTheForce/ForceFieldFactory.hpp, UseTheForce/LJFF.cpp,
-+
+        UseTheForce/LJFF.hpp, brains/SimCreator.cpp, types/AtomType.cpp,
-+
+        types/AtomType.hpp: adding ForceFieldFactory and LJFF classes
-+
-+
+-11-15 18:00  tim
-+
-+
+        * src/UseTheForce/ForceFieldFactory.cpp: file ForceFieldFactory.cpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-15 18:00  tim
-+
-+
+        * src/UseTheForce/ForceFieldFactory.hpp: file ForceFieldFactory.hpp
-+
+        was initially added on branch new_design.
-+
-+
+-11-15 18:00  tim
-+
-+
+        * src/UseTheForce/LJFF.hpp: file LJFF.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-15 13:02  tim
-+
-+
+        * src/integrators/Velocitizer.hpp: file Velocitizer.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-15 13:02  tim
-+
-+
+        * src/io/DumpWrite.hpp: file DumpWrite.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-15 13:02  tim
-+
-+
+        * src/io/DumpReader.hpp: file DumpReader.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-15 13:02  tim
-+
-+
+        * src/: brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        brains/Snapshot.hpp, io/DumpReader.cpp, io/DumpWriter.cpp,
-+
+        integrators/Velocitizer.hpp, io/DumpReader.hpp, io/DumpWrite.hpp,
-+
+        io/ReadWrite.hpp, utils/StringTokenizer.hpp: finish DumpReader,
-+
+        DumpWriter.Next Step is LJFF and integrators
-+
-+
+-11-13 00:08  tim
-+
-+
+        * src/: brains/ForceManager.cpp, brains/ForceManager.hpp,
-+
+        brains/SimCreator.cpp, brains/SimCreator.hpp, brains/SimInfo.cpp,
-+
+        brains/SimInfo.hpp, primitives/Molecule.cpp,
-+
+        primitives/Molecule.hpp, primitives/RigidBody.cpp: refactory,
-+
+        refactory, refactory
-+
-+
+-11-12 17:43  tim
-+
-+
+        * src/utils/: StreamTokenizer.cpp, StringTokenizer.hpp,
-+
+        StringTokenizer.cpp: bug fix in hasMoreTokens
-+
-+
+-11-12 17:28  tim
-+
-+
+        * src/utils/StringTokenizer.cpp: file StringTokenizer.cpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-12 17:28  tim
-+
-+
+        * src/utils/: StringTokenizer.cpp, StringTokenizer.hpp: adding
-+
+        StringUtils, a c-style strtok like class, need unit test
-+
-+
+-11-12 12:40  tim
-+
-+
+        * src/: UseTheForce/ForceField.cpp, UseTheForce/ForceField.hpp,
-+
+        brains/SimCreator.cpp, brains/SimCreator.hpp, brains/SimInfo.cpp,
-+
+        brains/SimInfo.hpp: SimCreator and SimInfo are  ready for unit test
-+
-+
+-11-12 02:05  tim
-+
-+
+        * src/: brains/MoleculeCreator.cpp, brains/MoleculeCreator.hpp,
-+
+        primitives/CutoffGroup.hpp, primitives/Molecule.cpp:
-+
+        MoleculeCreator forget to create CutoffGroups for free atoms
-+
-+
+-11-12 01:19  tim
-+
-+
+        * src/: brains/MoleculeCreator.cpp, brains/SimCreator.cpp,
-+
+        brains/SimCreator.hpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        brains/SimSnapshotManager.cpp, brains/SimSnapshotManager.hpp,
-+
+        io/parse_me.h, primitives/Molecule.cpp, primitives/Molecule.hpp:
-+
+        OOPSE = Object-Obfuscated Parallel Simulation Engine
-+
-+
+-11-11 16:48  chrisfen
-+
-+
+        * samples/water/tip3p_ice/tp3.md: working sample
-+
-+
+-11-11 16:47  chrisfen
-+
-+
+        * src/restraints/Restraints.cpp: working towards parallel
-+
+        restraints
-+
-+
+-11-11 16:47  chrisfen
-+
-+
+        * src/integrators/Integrator.cpp: Commented out some write
-+
+        statements
-+
-+
+-11-11 16:46  chrisfen
-+
-+
+        * src/UseTheForce/: Shapes_FF.cpp, doForces.F90: Got rid of some
-+
+        write statements
-+
-+
+-11-11 16:46  chrisfen
-+
-+
+        * samples/water/tip3p_ice/tp3.md: Fun with ice
-+
-+
+-11-11 11:41  tim
-+
-+
+        * src/: brains/Exclude.cpp, brains/Exclude.hpp,
-+
+        brains/SimCreator.cpp, brains/SimCreator.hpp, brains/SimInfo.cpp,
-+
+        brains/SnapShot.cpp, brains/Snapshot.hpp, brains/fSimulation.h,
-+
+        brains/mpiSimulation.hpp, io/DumpWriter.cpp, io/StatWriter.cpp,
-+
+        io/StatWriter.hpp, utils/Utility.hpp: add Snapshot.cpp, remove
-+
+        useless mpiSimulation
-+
-+
+-11-11 11:41  tim
-+
-+
+        * src/brains/SnapShot.cpp: file SnapShot.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-10 17:50  tim
-+
-+
+        * src/: brains/ForceManager.cpp, brains/SimInfo.cpp,
-+
+        brains/SimInfo.hpp, brains/Stats.hpp, brains/mpiSimulation.hpp,
-+
+        integrators/NVE.cpp, io/StatWriter.cpp: more work on SimInfo
-+
-+
+-11-10 17:01  tim
-+
-+
+        * src/: brains/SimCreator.cpp, brains/SimCreator.hpp,
-+
+        brains/SimInfo.cpp, brains/SimInfo.hpp, brains/SimSetup.cpp,
-+
+        brains/Stats.cpp, brains/Thermo.cpp, brains/Thermo.hpp,
-+
+        brains/mpiSimulation.hpp, integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp, io/StatWriter.cpp,
-+
+        io/StatWriter.hpp, math/randomSPRNG.cpp, primitives/Molecule.hpp,
-+
+        visitors/AtomVisitor.cpp: another painful day (1) SimCreator,
-+
+        SimInfo, mpiSimulation (2) DumpReader, DumpWriter (InitializeFrom
-+
+        File will be removed) (3) ForceField (at least LJ) and BondType,
-+
+        BendType, TorsionType (4)Integrator (5)oopse.cpp (6)visitors &
-+
+        Dump2XYZ (7)SimpleBuilder (8)Constraint & ZConstraint
-+
-+
+-11-10 09:52  tim
-+
-+
+        * src/: brains/mpiSimulation.cpp, io/StatWriter.hpp: add a
-+
+        configurable StatWriter
-+
-+
+-11-10 09:52  tim
-+
-+
+        * src/io/StatWriter.hpp: file StatWriter.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-09 21:58  tim
-+
-+
+        * src/brains/: mpiSimulation.cpp, mpiSimulation.hpp: mpiSimulation
-+
+        in progress
-+
-+
+-11-09 18:11  tim
-+
-+
+        * src/brains/ForceManager.cpp: file ForceManager.cpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-09 18:11  tim
-+
-+
+        * src/integrators/VelocityVerletIntegrator.cpp: file
-+
+        VelocityVerletIntegrator.cpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-09 18:11  tim
-+
-+
+        * src/: UseTheForce/mpiComponentPlan.h, brains/ForceManager.cpp,
-+
+        brains/ForceManager.hpp, brains/SimInfo.cpp, brains/SimInfo.hpp,
-+
+        brains/Stats.hpp, brains/Thermo.cpp, brains/mpiSimulation.cpp,
-+
+        brains/mpiSimulation.hpp, integrators/Integrator.hpp,
-+
+        integrators/NVE.cpp, integrators/VelocityVerletIntegrator.cpp,
-+
+        integrators/VelocityVerletIntegrator.hpp: adding ForceManager
-+
-+
+-11-09 18:11  tim
-+
-+
+        * src/brains/ForceManager.hpp: file ForceManager.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-09 18:11  tim
-+
-+
+        * src/integrators/NVE.cpp: file NVE.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-08 20:08  tim
-+
-+
+        * src/integrators/VelocityVerletIntegrator.hpp: file
-+
+        VelocityVerletIntegrator.hpp was initially added on branch
-+
+        new_design.
-+
-+
+-11-08 20:08  tim
-+
-+
+        * src/integrators/NVE.hpp: file NVE.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-08 20:08  tim
-+
-+
+        * src/: brains/Exclude.hpp, brains/Stats.hpp,
-+
+        integrators/Integrator.hpp, integrators/NVE.hpp,
-+
+        integrators/VelocityVerletIntegrator.hpp, io/StatWriter.cpp,
-+
+        utils/TypeContainer.hpp: More to break
-+
-+
+-11-06 00:21  tim
-+
-+
+        * src/utils/TypeContainer.hpp: file TypeContainer.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-06 00:21  tim
-+
-+
+        * src/: brains/SimCreator.hpp, UseTheForce/ForceField.cpp,
-+
+        UseTheForce/ForceField.hpp, io/basic_ifstrstream.hpp,
-+
+        utils/TypeContainer.hpp, utils/next_combination.hpp: adding
-+
+        ForceField and TypeContainer classes
-+
-+
+-11-05 18:38  tim
-+
-+
+        * src/brains/MoleculeCreator.cpp: file MoleculeCreator.cpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-05 18:38  tim
-+
-+
+        * src/brains/MoleculeCreator.hpp: file MoleculeCreator.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-05 18:38  tim
-+
-+
+        * src/: brains/Exclude.cpp, brains/Exclude.hpp,
-+
+        brains/MoleculeCreator.cpp, brains/MoleculeCreator.hpp,
-+
+        brains/SimCreator.cpp, brains/SimCreator.hpp, brains/SimInfo.cpp,
-+
+        brains/SimInfo.hpp, primitives/Molecule.hpp,
-+
+        utils/LocalndexManager.hpp: Fix Exclude class etc.
-+
-+
+-11-05 16:45  chrisfen
-+
-+
+        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
-+
+        visitors/AtomVisitor.cpp, visitors/AtomVisitor.hpp: Added the
-+
+        linear visitor
-+
-+
+-11-05 16:04  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/shapes.F90: current status of the
-+
+        debugging process
-+
-+
+-11-05 16:04  chrisfen
-+
-+
+        * make/Makefile.in: included visitors and minimizer
-+
-+
+-11-05 16:03  chrisfen
-+
-+
+        * ChangeLog: new changes
-+
-+
+-11-04 21:56  tim
-+
-+
+        * src/: brains/SimCreator.cpp, brains/SimCreator.hpp,
-+
+        primitives/Molecule.hpp: Pain......
-+
-+
+-11-04 15:55  tim
-+
-+
+        * ChangeLog, make/Makefile.in, src/brains/SimCreator.cpp,
-+
+        src/brains/SimCreator.hpp, src/brains/SimInfo.hpp,
-+
+        src/brains/Stats.hpp: time to break SimSetup
-+
-+
+-11-04 15:51  gezelter
-+
-+
+        * src/UseTheForce/: ForceField.cpp, ForceField.hpp: added new
-+
+        classes in progress
-+
-+
+-11-04 14:48  tim
-+
-+
+        * src/brains/Stats.cpp: file Stats.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-04 14:48  tim
-+
-+
+        * src/brains/Stats.hpp: file Stats.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-04 14:48  tim
-+
-+
+        * src/brains/: SimInfo.cpp, SimInfo.hpp, SimModel.cpp,
-+
+        SimModel.hpp, Snapshot.hpp, Stats.cpp, Stats.hpp: adding Stats
-+
+        class
-+
-+
+-11-04 11:22  gezelter
-+
-+
+        * src/primitives/: DirectionalAtom.cpp, DirectionalAtom.hpp,
-+
+        RigidBody.hpp, StuntDouble.cpp, StuntDouble.hpp: isLinear and
-+
+        linearAxis are virtual in StuntDouble, but are implemented by
-+
+        DirectionalAtom and RigidBody In StuntDouble, they should return
-+
+        false and "-1" but there should be logic to figure them out in the
-+
+        other two classes
-+
-+
+-11-04 11:20  gezelter
-+
-+
+        * src/: brains/ForceFields.cpp, integrators/Integrator.cpp: Don't
-+
+        remember what I did
-+
-+
+-11-04 11:20  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/shapes.F90: Breaky Breaky
-+
-+
+-11-04 11:20  gezelter
-+
-+
+        * src/UseTheForce/: DUFF.cpp, WATER.cpp, doForces.F90: fixed useXXX
-+
+        in the entry_plug so that it only is set if the atoms really are in
-+
+        the simulation
-+
-+
+-11-04 11:20  gezelter
-+
-+
+        * samples/water/ssd/ssd.md: testing force fields
-+
-+
+-11-04 11:19  gezelter
-+
-+
+        * samples/shape/linear.in: testing shapes
-+
-+
+-11-03 14:56  tim
-+
-+
+        * src/brains/: SimCreator.cpp, SimCreator.hpp: Adding SimCreator
-+
+        class(similar as SimSetup)
-+
-+
+-11-03 14:56  tim
-+
-+
+        * src/brains/SimCreator.hpp: file SimCreator.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-03 14:56  tim
-+
-+
+        * src/brains/SimCreator.cpp: file SimCreator.cpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-03 13:00  tim
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.cpp, UseTheForce/LJFF.cpp,
-+
+        UseTheForce/Shapes_FF.cpp, UseTheForce/WATER.cpp,
-+
+        brains/DataStorage.hpp, primitives/Atom.hpp,
-+
+        primitives/DirectionalAtom.hpp, restraints/Restraints.hpp,
-+
+        visitors/BaseVisitor.hpp, visitors/ZconsVisitor.cpp: ForceFiled get
-+
+        compiled. Still a long way to go ......
-+
-+
+-11-03 11:08  tim
-+
-+
+        * ChangeLog, src/brains/SimInfo.cpp, src/brains/SimInfo.hpp,
-+
+        src/constraints/ZConstraint.cpp, src/integrators/NPT.cpp,
-+
+        src/integrators/NPTf.cpp, src/integrators/NPTi.cpp,
-+
+        src/integrators/NPTxyz.cpp, src/integrators/NVT.cpp,
-+
+        src/io/ZConsReader.cpp, src/primitives/Bend.cpp,
-+
+        src/primitives/Bond.cpp, src/primitives/GhostBend.cpp,
-+
+        src/primitives/Molecule.cpp, src/primitives/Molecule.hpp,
-+
+        src/primitives/SRI.hpp, src/primitives/StuntDouble.cpp,
-+
+        src/primitives/StuntDouble.hpp, src/primitives/Torsion.cpp,
-+
+        src/utils/GenericData.hpp, src/visitors/AtomVisitor.cpp,
-+
+        src/visitors/OtherVisitor.cpp, src/visitors/RigidBodyVisitor.cpp,
-+
+        src/visitors/ZconsVisitor.cpp, test/utils/Makefile: mess up ......
-+
-+
+-11-02 17:41  tim
-+
-+
+        * src/: brains/Migrator.hpp, brains/SimModel.cpp,
-+
+        utils/LocalndexManager.hpp: Adding LocalIndexManager and Migrator.
-+
+        Need unit test
-+
-+
+-11-02 17:41  tim
-+
-+
+        * src/utils/LocalndexManager.hpp: file LocalndexManager.hpp was
-+
+        initially added on branch new_design.
-+
-+
+-11-02 17:41  tim
-+
-+
+        * src/brains/Migrator.hpp: file Migrator.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-02 11:59  tim
-+
-+
+        * src/brains/SimModel.cpp: file SimModel.cpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-02 11:59  tim
-+
-+
+        * src/brains/: SimModel.cpp, SimModel.hpp, SimSnapshotManager.cpp,
-+
+        SimSnapshotManager.hpp: SimModel in progress
-+
-+
+-11-02 10:28  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/shapes.F90,
-+
+        primitives/StuntDouble.cpp, primitives/StuntDouble.hpp: Shapes
-+
+        looks like it's working
-+
-+
+-11-02 10:27  tim
-+
-+
+        * src/utils/MemoryUtils.hpp: adding MemoryUtils which provide some
-+
+        functions for dealing with memory issue
-+
-+
+-11-02 10:27  tim
-+
-+
+        * src/utils/MemoryUtils.hpp: file MemoryUtils.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-02 10:23  tim
-+
-+
+        * src/: brains/SimModel.hpp, brains/Snapshot.hpp,
-+
+        brains/SnapshotManager.hpp, primitives/Molecule.hpp: adding
-+
+        SimModel(something similar as SimInfo)
-+
-+
+-11-01 17:52  tim
-+
-+
+        * src/: applications/simpleBuilder/MoLocator.hpp,
-+
+        applications/simpleBuilder/simpleBuilder.cpp,
-+
+        brains/DataStorage.hpp, brains/ForceFields.cpp,
-+
+        brains/Snapshot.hpp, brains/SnapshotManager.hpp, brains/Thermo.cpp,
-+
+        constraints/ZConstraint.cpp, integrators/Integrator.cpp,
-+
+        integrators/NPT.cpp, integrators/NVT.cpp, io/DumpWriter.cpp,
-+
+        math/SquareMatrix3.hpp, math/Vector3.hpp,
-+
+        minimizers/OOPSEMinimizer.cpp, primitives/Bend.hpp,
-+
+        primitives/Bond.hpp, primitives/CutoffGroup.hpp,
-+
+        primitives/Molecule.cpp, primitives/Molecule.hpp,
-+
+        primitives/RigidBody.hpp, primitives/Torsion.hpp,
-+
+        restraints/Restraints.cpp, types/TorsionType.hpp,
-+
+        utils/PropertyMap.hpp, utils/StringTokenizer.hpp,
-+
+        visitors/AtomVisitor.cpp, visitors/BaseVisitor.hpp,
-+
+        visitors/RigidBodyVisitor.cpp: Molecule, Atom, DirectionalAtom,
-+
+        RigidBody and StuntDouble classes get compiled
-+
-+
+-11-01 16:40  tim
-+
-+
+        * src/primitives/Torsion.hpp: file Torsion.hpp was initially added
-+
+        on branch new_design.
-+
-+
+-11-01 16:40  tim
-+
-+
+        * src/primitives/Bend.hpp: file Bend.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-01 16:40  tim
-+
-+
+        * src/primitives/Bond.hpp: file Bond.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-01 16:40  tim
-+
-+
+        * src/primitives/: Bend.hpp, Bond.hpp, Torsion.hpp: add initial
-+
+        version of Bond, Bend and Torsion.
-+
-+
+-11-01 16:37  tim
-+
-+
+        * src/types/BendType.hpp: file BendType.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-01 16:37  tim
-+
-+
+        * src/types/: BendType.hpp, BondType.hpp, TorsionType.hpp: adding
-+
+        BondType, BendType, TorsionType
-+
-+
+-11-01 16:37  tim
-+
-+
+        * src/types/TorsionType.hpp: file TorsionType.hpp was initially
-+
+        added on branch new_design.
-+
-+
+-11-01 16:37  tim
-+
-+
+        * src/types/BondType.hpp: file BondType.hpp was initially added on
-+
+        branch new_design.
-+
-+
+-11-01 15:15  tim
-+
-+
+        * src/primitives/: Atom.cpp, Atom.hpp, Bend.cpp, Bond.cpp,
-+
+        CutoffGroup.hpp, DirectionalAtom.cpp, DirectionalAtom.hpp,
-+
+        GhostBend.cpp, Makefile, Molecule.cpp, Molecule.hpp, RigidBody.cpp,
-+
+        RigidBody.hpp, StuntDouble.cpp, StuntDouble.hpp, Torsion.cpp:
-+
+        break, break and break.....
-+
-+
+-11-01 14:57  tim
-+
-+
+        * test/brains/: Atom.cpp, DirectioanlAtom.cpp, DirectionalAtom.cpp,
-+
+        DirectionalAtom.hpp, RigidBody.cpp, RigidBody.hpp, StuntDouble.cpp,
-+
+        StuntDouble.hpp: these core classes get compiled
-+
-+
+-10-29 17:37  tim
-+
-+
+        * test/brains/: Molecule.cpp, Molecule.hpp: more work on Molecule
-+
+        class
-+
-+
+-10-29 17:28  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/atype.F90,
-+
+        UseTheForce/DarkSide/shapes.F90, math/RealSphericalHarmonic.cpp,
-+
+        types/ShapeAtomType.cpp: still debugging
-+
-+
+-10-29 17:28  chrisfen
-+
-+
+        * src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp, doForces.F90:
-+
+        shapes rcut calculator added
-+
-+
+-10-29 17:27  chrisfen
-+
-+
+        * samples/shape/linear.md: shorter run
-+
-+
+-10-29 15:54  tim
-+
-+
+        * test/brains/: Molecule.cpp, Molecule.hpp: rewrite Molecule class.
-+
-+
+-10-29 11:22  tim
-+
-+
+        * test/utils/: GenerateCombination.hpp, ReplaceWildCard.hpp,
-+
+        ReplaceWildCardTestCase.cpp, ReplaceWildCardTestCase.hpp: Remove
-+
+        some deprecated files
-+
-+
+-10-29 11:20  tim
-+
-+
+        * test/brains/: Atom.cpp, Atom.hpp, DirectioanlAtom.cpp,
-+
+        DirectionalAtom.hpp, RigidBody.cpp, RigidBody.hpp, StuntDouble.hpp:
-+
+        More painful reconstruction is coming !!!
-+
-+
+-10-28 17:34  tim
-+
-+
+        * src/brains/DataStorage.hpp, src/utils/next_combination.hpp,
-+
+        test/brains/DirectioanlAtom.cpp, test/brains/DirectionalAtom.hpp,
-+
+        test/brains/RigidBody.cpp, test/brains/RigidBody.hpp,
-+
+        test/brains/StuntDouble.hpp: More work on StuntDouble, Atom,
-+
+        DirectionalAtom and RigidBody
-+
-+
+-10-28 17:26  tim
-+
-+
+        * ChangeLog, src/applications/simpleBuilder/BaseLattice.hpp,
-+
+        src/applications/simpleBuilder/MoLocator.cpp,
-+
+        src/applications/simpleBuilder/Vector3d.hpp,
-+
+        src/utils/GenericFactory.hpp, src/utils/next_combination.hpp:
-+
+        remove old Vector3d.hpp from application/simpleBuilder
-+
-+
+-10-28 16:42  tim
-+
-+
+        * src/utils/next_combination.hpp: Minor change in next_combination
-+
-+
+-10-28 16:28  tim
-+
-+
+        * src/utils/next_combination.hpp,
-+
+        test/utils/NextCombinationTestCase.cpp,
-+
+        test/utils/ReplaceWildCardTestCase.cpp: Done with combination
-+
-+
+-10-28 16:11  tim
-+
-+
+        * src/utils/next_combination.hpp: change documentation of
-+
+        next_combination.hpp
-+
-+
+-10-28 15:41  tim
-+
-+
+        * ChangeLog, src/utils/next_combination.hpp,
-+
+        test/utils/NextCombinationTestCase.cpp,
-+
+        test/utils/NextCombinationTestCase.hpp: ReplaceWildCard is working
-+
-+
+-10-28 15:01  tim
-+
-+
+        * src/utils/next_combination.hpp: adding replace wildcard function
-+
-+
+-10-28 14:33  tim
-+
-+
+        * src/utils/next_combination.hpp: Minor change
-+
-+
+-10-28 14:06  tim
-+
-+
+        * ChangeLog, src/applications/simpleBuilder/MoLocator.hpp,
-+
+        src/applications/simpleBuilder/simpleBuilder.cpp,
-+
+        src/utils/next_combination.hpp, test/utils/Makefile,
-+
+        test/utils/NextCombinationTestCase.cpp,
-+
+        test/utils/ReplaceWildCardTestCase.cpp,
-+
+        test/utils/next_combination.hpp: STL next_permutation like
-+
+        next_combination is working
-+
-+
+-10-28 12:22  chrisfen
-+
-+
+        * src/UseTheForce/WATER.cpp: fix of setDipoles
-+
-+
+-10-28 12:20  gezelter
-+
-+
+        * src/UseTheForce/Shapes_FF.cpp: forgot to advance lines in the
-+
+        shapeFile
-+
-+
+-10-28 12:20  gezelter
-+
-+
+        * samples/shape/linear.md: forgot the orientation line
-+
-+
+-10-28 11:56  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp,
-+
+        UseTheForce/WATER.cpp, types/AtomType.cpp: fixed duplicate
-+
+        declaration foo
-+
-+
+-10-28 11:55  gezelter
-+
-+
+        * samples/lipid/5x5.md: uncommented .in line
-+
-+
+-10-28 10:42  tim
-+
-+
+        * test/utils/: Makefile, NextCombinationTestCase.cpp,
-+
+        NextCombinationTestCase.hpp, next_combination.hpp: next_combination
-+
+        in progress
-+
-+
+-10-28 10:15  tim
-+
-+
+        * test/utils/: NextCombinationTestCase.cpp,
-+
+        NextCombinationTestCase.hpp: adding next_combination test case
-+
-+
+-10-28 10:02  tim
-+
-+
+        * test/utils/next_combination.hpp: STL Compatible combination
-+
+        sequence generator
-+
-+
+-10-28 01:23  tim
-+
-+
+        * test/utils/: GenerateCombination.hpp,
-+
+        ReplaceWildCardTestCase.cpp: bug fixed in GenerateCombination.hpp
-+
-+
+-10-28 01:16  tim
-+
-+
+        * test/utils/GenerateCombination.hpp: a STL next_permutaion like
-+
+        next_combination function.
-+
-+
+-10-27 22:27  tim
-+
-+
+        * test/utils/ReplaceWildCard.hpp: no message
-+
-+
+-10-27 22:14  tim
-+
-+
+        * test/utils/: ReplaceWildCard.hpp, ReplaceWildCardTestCase.cpp:
-+
+        ReplaceWildCard(recursive version) is working, need refactoring. An
-+
+        iterative version is on the way
-+
-+
+-10-27 21:28  tim
-+
-+
+        * test/utils/: Makefile, ReplaceWildCard.hpp,
-+
+        ReplaceWildCardTestCase.cpp: ReplaceWildCard in progress
-+
-+
+-10-27 21:08  tim
-+
-+
+        * test/utils/: ReplaceWildCardTestCase.cpp,
-+
+        ReplaceWildCardTestCase.hpp: Adding Test Case for ReplaceWildCard
-+
-+
+-10-27 18:17  tim
-+
-+
+        * test/utils/ReplaceWildCard.hpp: adding ReplaceWildCard.hpp, need
-+
+        test
-+
-+
+-10-27 01:25  tim
-+
-+
+        * src/utils/TupleMatcher.hpp: Adding Generic TupleMatcher, wild
-+
+        char matching is on the way
-+
-+
+-10-27 01:07  tim
-+
-+
+        * src/utils/Tuple.hpp: Adding Generic Tuple3 and Tuple4
-+
-+
+-10-26 22:00  gezelter
-+
-+
+        * src/UseTheForce/: EAM_FF.cpp, ForceFields.hpp: bug fix
-+
-+
+-10-26 21:20  gezelter
-+
-+
+        * src/UseTheForce/ForceFields.hpp: subclass foo
-+
-+
+-10-26 21:16  gezelter
-+
-+
+        * src/UseTheForce/: EAM_FF.cpp, LJFF.cpp, WATER.cpp: more char* ->
-+
+        string conversion
-+
-+
+-10-26 19:01  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.hpp, brains/SimSetup.cpp,
-+
+        brains/SimSetup.hpp: char* -> string
-+
-+
+-10-26 17:25  gezelter
-+
-+
+        * src/types/: AtomType.cpp, AtomType.hpp, DirectionalAtomType.hpp,
-+
+        Makefile, ShapeAtomType.cpp, ShapeAtomType.hpp, ShapeType.cpp,
-+
+        ShapeType.hpp: Making ShapeType into a ShapeAtomType, fixing some
-+
+        isXXX
-+
-+
+-10-26 17:25  gezelter
-+
-+
+        * src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
-+
+        define name collision
-+
-+
+-10-26 17:24  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.hpp, UseTheForce/LJFF.cpp,
-+
+        UseTheForce/Makefile, UseTheForce/Shapes_FF.cpp,
-+
+        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
-+
+        UseTheForce/DarkSide/shapes_interface.h, brains/SimSetup.cpp:
-+
+        forcefield refactoring for shapes
-+
-+
+-10-26 17:24  gezelter
-+
-+
+        * samples/shape/: 5CB.shape, 8CB.shape, C60.shape, C70.shape,
-+
+        Shapes.frc, cholesterol.shape, ethylBenzene.shape, linear.in,
-+
+        linear.md, linear.shape, toluene.shape: adding sample shape
-+
+        directory
-+
-+
+-10-26 17:19  tim
-+
-+
+        * ChangeLog, src/brains/DataStorage.cpp,
-+
+        src/brains/DataStorage.hpp, src/brains/Snapshot.hpp,
-+
+        test/brains/DataStorageTestCase.cpp,
-+
+        test/brains/DataStorageTestCase.hpp, test/brains/Makefile:
-+
+        DataStorage passes unit test
-+
-+
+-10-26 13:03  chrisfen
-+
-+
+        * src/UseTheForce/DarkSide/: shapes.F90, shapes_interface.h:
-+
+        Changes to help advance shapes
-+
-+
+-10-26 13:02  chrisfen
-+
-+
+        * src/UseTheForce/: ForceFields.hpp, Shapes_FF.cpp: Changes to
-+
+        Shapes force field reader
-+
-+
+-10-26 12:28  tim
-+
-+
+        * src/brains/Snapshot.hpp, test/brains/RigidBody.hpp: Snaphot and
-+
+        SnapshotTestCase in progress
-+
-+
+-10-25 17:46  tim
-+
-+
+        * ChangeLog, src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
-+
+        src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
-+
+        src/math/Vector3.hpp, test/brains/StuntDouble.hpp,
-+
+        test/math/RectMatrixTestCase.cpp, test/math/Vector3TestCase.cpp,
-+
+        test/math/VectorTestCase.cpp: add getArray function to  RectMatrix
-+
+        and Vector classes
-+
-+
+-10-25 12:03  tim
-+
-+
+        * ChangeLog, src/utils/GenericFactory.hpp,
-+
+        test/utils/GenericFactoryTestCase.cpp,
-+
+        test/utils/GenericFactoryTestCase.hpp, test/utils/Makefile: adding
-+
+        GenericFactory Test Case. GenericFactory now can bed used to creat
-+
+        ForcefieldFactory and IntegratorFactory etc.
-+
-+
+-10-24 23:08  tim
-+
-+
+        * src/: brains/SimModel.hpp, brains/SimSnapshotManager.cpp,
-+
+        brains/SimSnapshotManager.hpp, brains/Snapshot.hpp,
-+
+        brains/SnapshotManager.hpp, utils/GenericFactory.hpp: more classes
-+
+        get reconstructed
-+
-+
+-10-24 02:55  tim
-+
-+
+        * src/utils/GenericFactory.hpp: GenericFactory pass unit test
-+
-+
+-10-23 18:09  tim
-+
-+
+        * test/brains/: Atom.hpp, DirectionalAtom.hpp, RigidBody.hpp,
-+
+        StuntDouble.cpp, StuntDouble.hpp, Atom.cpp, DirectioanlAtom.cpp,
-+
+        RigidBody.cpp: Refactoring in progress
-+
-+
+-10-22 18:09  tim
-+
-+
+        * ChangeLog, src/brains/Snapshot.hpp,
-+
+        src/brains/SnapshotManager.hpp, src/math/SquareMatrix.hpp,
-+
+        test/brains/SnapshotTestCase.cpp, test/brains/SnapshotTestCase.hpp,
-+
+        test/brains/StuntDouble.hpp: more work in Snapshot
-+
-+
+-10-22 17:59  chrisfen
-+
-+
+        * src/: UseTheForce/LJFF.cpp,
-+
+        UseTheForce/DarkSide/atype_interface.h, types/AtomType.cpp: Dear
-+
+        god!  It runs and conserves energy!
-+
-+
+-10-22 17:54  chrisfen
-+
-+
+        * src/types/: AtomType.cpp, AtomType.hpp: strDUP not strCOPY
-+
-+
+-10-22 17:53  chrisfen
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp,
-+
+        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
-+
+        brains/SimInfo.cpp, brains/SimInfo.hpp: fixey fixey the breakey
-+
+        breakey
-+
-+
+-10-22 17:53  chrisfen
-+
-+
+        * make/Makefile.in: compiler flags
-+
-+
+-10-22 16:20  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/LJFF.cpp, UseTheForce/doForces.F90,
-+
+        brains/fSimulation.h, types/AtomType.hpp,
-+
+        types/DirectionalAtomType.hpp: fixey fixey
-+
-+
+-10-22 15:22  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: LJ.F90, atype.F90, atype_interface.h,
-+
+        charge.F90, charge_interface.h, dipole.F90, dipole_interface.h,
-+
+        lj_interface.h, shapes.F90, simulation.F90: Added un-busticated
-+
+        fortran files and c/Fortran interfaces
-+
-+
+-10-22 15:21  gezelter
-+
-+
+        * src/types/: AtomType.cpp, AtomType.hpp, AtomTypeProperties.h,
-+
+        DirectionalAtomType.hpp, Makefile: More on AtomType and
-+
+        DirectionalAtomType
-+
-+
+-10-22 09:47  gezelter
-+
-+
+        * src/types/AtomType.hpp: Adding AtomType
-+
-+
+-10-21 16:31  tim
-+
-+
+        * ChangeLog, src/brains/Snapshot.hpp,
-+
+        src/brains/SnapshotManager.hpp, src/math/RectMatrix.hpp,
-+
+        src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
-+
+        src/math/Vector.hpp, src/math/Vector3.hpp,
-+
+        test/math/RectMatrixTestCase.cpp, test/math/VectorTestCase.cpp:
-+
+        Snapshot and SnapshotManager in progress
-+
-+
+-10-21 16:30  tim
-+
-+
+        * test/brains/: BrainsTest.cpp, Makefile,
-+
+        SnapshotManagerTestCase.cpp, SnapshotManagerTestCase.hpp,
-+
+        SnapshotTestCase.cpp, SnapshotTestCase.hpp: adding test case for
-+
+        Snapshot and snapshotManager.
-+
-+
+-10-21 15:15  gezelter
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
-+
+        UseTheForce/LJFF.cpp, UseTheForce/Shapes_FF.cpp,
-+
+        UseTheForce/WATER.cpp, UseTheForce/doForces.F90,
-+
+        UseTheForce/doForces_interface.h, UseTheForce/fForceField.h,
-+
+        UseTheForce/DarkSide/LJ.F90, UseTheForce/DarkSide/lj_interface.h,
-+
+        brains/SimSetup.cpp, types/AtomTypeProperties.h: Breaky Breaky.
-+
+        Fixey Fixey.
-+
-+
+-10-21 11:32  tim
-+
-+
+        * src/utils/GenericData.cpp, src/utils/Makefile,
-+
+        test/utils/Makefile, test/utils/UtilTest: remove some junk files
-+
-+
+-10-21 11:24  tim
-+
-+
+        * test/utils/GenericData.hpp: remove backup of  GenericData.hpp
-+
-+
+-10-21 11:22  tim
-+
-+
+        * ChangeLog, src/brains/SimSetup.cpp,
-+
+        src/constraints/ZConstraint.cpp, src/constraints/ZconsData.hpp,
-+
+        src/integrators/NPT.cpp, src/integrators/NPTf.cpp,
-+
+        src/integrators/NPTi.cpp, src/integrators/NPTxyz.cpp,
-+
+        src/integrators/NVT.cpp, src/io/DumpReader.cpp,
-+
+        src/io/InitializeFromFile.cpp, src/io/ZConsReader.cpp,
-+
+        src/io/ZConsWriter.hpp, src/primitives/StuntDouble.hpp,
-+
+        src/utils/GenericData.cpp, src/utils/GenericData.hpp,
-+
+        src/visitors/AtomData.hpp, src/visitors/AtomVisitor.cpp,
-+
+        src/visitors/AtomVisitor.hpp, src/visitors/CompositeVisitor.cpp,
-+
+        src/visitors/CompositeVisitor.hpp, src/visitors/OtherVisitor.cpp,
-+
+        src/visitors/OtherVisitor.hpp, src/visitors/RigidBodyVisitor.cpp,
-+
+        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
-+
+        src/visitors/ZconsVisitor.hpp: replace old GebericData with  new
-+
+        GenericData
-+
-+
+-10-21 10:25  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/: LJ.F90, eam.F90: Added newLJtype to lj
-+
+        module.
-+
-+
+-10-21 10:24  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/lj_interface.h: Added interface for
-+
+        fortran lj module.
-+
-+
+-10-20 17:54  tim
-+
-+
+        * ChangeLog, src/utils/PropertyMap.cpp, src/utils/PropertyMap.hpp,
-+
+        test/utils/GenericDataTestCase.cpp, test/utils/Makefile,
-+
+        test/utils/PropertyMapTestCase.cpp,
-+
+        test/utils/PropertyMapTestCase.hpp, test/utils/UtilTest:
-+
+        GenericData and PropertyMap  pass unit test.
-+
-+
+-10-20 16:52  gezelter
-+
-+
+        * src/UseTheForce/: DUFF.cpp, WATER.cpp, DarkSide/sticky.F90,
-+
+        DarkSide/sticky_interface.h: fixed a fortran name problem
-+
-+
+-10-20 16:38  tim
-+
-+
+        * test/utils/: GenericData.hpp, GenericDataTestCase.cpp,
-+
+        GenericDataTestCase.hpp, Makefile, PropertyMapTestCase.hpp,
-+
+        UtilTest, UtilTest.cpp: adding generic data test case
-+
-+
+-10-20 16:16  chuckv
-+
-+
+        * configure, ac-tools/aclocal.m4,
-+
+        src/UseTheForce/DarkSide/Makefile,
-+
+        src/UseTheForce/DarkSide/mpiSimulation.F90,
-+
+        src/UseTheForce/DarkSide/mpiSimulation_interface.h,
-+
+        src/UseTheForce/DarkSide/simParallel.F90,
-+
+        src/UseTheForce/DarkSide/simParallel_interface.h,
-+
+        src/brains/mpiSimulation.cpp, src/brains/mpiSimulation.hpp:
-+
+        Fortran/C++ interface de-obfuscation project appears to be
-+
+        complete!  Woo hoo!
-+
-+
+-10-20 15:47  chuckv
-+
-+
+        * src/UseTheForce/: fortranWrapDefines.hpp, fortranWrappers.cpp,
-+
+        fortranWrappers.hpp: Fortran/C++ interface de-obfuscation project
-+
+        continues
-+
-+
+-10-20 15:46  chuckv
-+
-+
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp,
-+
+        UseTheForce/ForceFields.cpp, UseTheForce/ForceFields.hpp,
-+
+        UseTheForce/LJFF.cpp, UseTheForce/Makefile, UseTheForce/WATER.cpp,
-+
+        UseTheForce/doForces_interface.h,
-+
+        UseTheForce/notifyCutoffs_interface.h, UseTheForce/wrappers.F90,
-+
+        UseTheForce/DarkSide/atype_interface.h,
-+
+        UseTheForce/DarkSide/eam_interface.h,
-+
+        UseTheForce/DarkSide/gb_interface.h,
-+
+        UseTheForce/DarkSide/mpiSimulation_interface.h,
-+
+        UseTheForce/DarkSide/shapes_interface.h,
-+
+        UseTheForce/DarkSide/simulation_interface.h,
-+
+        UseTheForce/DarkSide/sticky_interface.h, brains/ForceFields.cpp,
-+
+        brains/SimInfo.cpp, brains/SimInfo.hpp: Fortran/C++ interface
-+
+        de-obfuscation project (It is a very long story)
-+
-+
+-10-20 13:07  tim
-+
-+
+        * ChangeLog, src/math/SquareMatrix.hpp, src/math/SquareMatrix3.hpp,
-+
+        test/math/SquareMatrix3TestCase.cpp,
-+
+        test/math/SquareMatrixTestCase.cpp,
-+
+        test/math/SquareMatrixTestCase.hpp: Math library pass the unit test
-+
-+
+-10-20 00:52  tim
-+
-+
+        * src/brains/: Snapshot.hpp, SnapshotManager.hpp: Snapshot and
-+
+        SnapshotManager in design phase
-+
-+
+-10-19 23:54  gezelter
-+
-+
+        * src/: brains/SimSetup.cpp, utils/StringUtils.cpp: namespace
-+
+        problem prevented linking
-+
-+
+-10-19 23:54  gezelter
-+
-+
+        * src/UseTheForce/Shapes_FF.cpp: fixed include
-+
-+
+-10-19 23:26  gezelter
-+
-+
+        * src/utils/: Makefile, definitions.F90, definitions_module.F90,
-+
+        oopseMPI.F90, oopseMPI_module.F90, status.F90, status_module.F90:
-+
+        more fortran name mangling
-+
-+
+-10-19 23:23  gezelter
-+
-+
+        * src/profiling/timing.F90: yet more fortran renaming
-+
-+
+-10-19 23:19  gezelter
-+
-+
+        * src/UseTheForce/: Makefile, doForces.F90, doForces_interface.h,
-+
+        do_Forces.F90, do_Forces.h, notifyCutoffs.F90,
-+
+        notifyCutoffs_interface.h, notifycutoffs_module_interface.h,
-+
+        wrappers.F90: Fortran name cleanup continues
-+
-+
+-10-19 23:12  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: atype.F90, simulation.F90: fixing some
-+
+        broken fortran stuff
-+
-+
+-10-19 23:02  gezelter
-+
-+
+        * src/UseTheForce/DarkSide/: LJ.F90, Makefile, atype.F90,
-+
+        atype_interface.h, atype_module.F90, atype_module_interface.h,
-+
+        calc_LJ_FF.F90, calc_charge_charge.F90, calc_dipole_dipole.F90,
-+
+        calc_eam.F90, calc_gb.F90, calc_reaction_field.F90,
-+
+        calc_shapes.F90, calc_sticky_pair.F90, charge.F90, dipole.F90,
-+
+        eam.F90, eam_interface.h, eam_module_inteface.h, gb.F90,
-+
+        gb_interface.h, gb_module_interface.h, mpiSimulation.F90,
-+
+        mpiSimulation_interface.h, mpiSimulation_module.F90,
-+
+        mpisimulation_module_interface.h, reactionField.F90, shapes.F90,
-+
+        shapes_interface.h, shapes_module.h, simulation.F90,
-+
+        simulation_interface.h, simulation_module.F90,
-+
+        simulation_module_interface.h, sticky.F90, sticky_interface.h,
-+
+        sticky_pair_module_interface.h, switch_module.F90, switcheroo.F90:
-+
+        name sanity on the fortran side
-+
-+
+-10-19 19:18  tim
-+
-+
+        * test/math/SquareMatrix3TestCase.hpp: [no log message]
-+
-+
+-10-19 18:01  tim
-+
-+
+        * src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
-+
+        src/math/SquareMatrix3.hpp, test/math/SquareMatrix3TestCase.cpp:
-+
+        except diagonalize(), all of functions in math library pass the
-+
+        test
-+
-+
+-10-19 17:43  chuckv
-+
-+
+        * src/UseTheForce/do_Forces.h: Added correct prototypes for
-+
+        C-fortran interface functions.
-+
-+
+-10-19 17:37  chuckv
-+
-+
+        * src/UseTheForce/DarkSide/: atype_module_interface.h,
-+
+        eam_module_inteface.h, gb_module_interface.h,
-+
+        mpisimulation_module_interface.h, simulation_module_interface.h,
-+
+        sticky_pair_module_interface.h: Added correct prototypes for
-+
+        C-fortran interface functions.
-+
-+
+-10-19 16:28  tim
-+
-+
+        * ChangeLog, src/math/Quaternion.hpp, src/math/RectMatrix.hpp,
-+
+        src/math/SquareMatrix.hpp, src/math/Vector.hpp,
-+
+        test/math/QuaternionTestCase.cpp, test/math/QuaternionTestCase.hpp,
-+
+        test/math/RectMatrixTestCase.cpp,
-+
+        test/math/SquareMatrix3TestCase.cpp, test/math/Vector3TestCase.cpp,
-+
+        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp: more
-+
+        bugs get fixed at math library
-+
-+
+-10-19 15:43  chuckv
-+
-+
+        * src/UseTheForce/: DarkSide/atype_module_interface.h,
-+
+        DarkSide/eam_module_inteface.h, DarkSide/gb_module_interface.h,
-+
+        DarkSide/mpisimulation_module_interface.h,
-+
+        DarkSide/simulation_module_interface.h,
-+
+        DarkSide/sticky_pair_module_interface.h, DarkSide/calc_eam.F90,
-+
+        DarkSide/atype_module.F90, DarkSide/calc_gb.F90,
-+
+        DarkSide/calc_sticky_pair.F90, DarkSide/mpiSimulation_module.F90,
-+
+        DarkSide/simulation_module.F90, do_Forces.F90,
-+
+        fortranWrapDefines.hpp, mpiComponentPlan.h, notifyCutoffs.F90,
-+
+        notifycutoffs_module_interface.h: Added new files for fortran
-+
+        interface.
-+
-+
+-10-19 15:43  gezelter
-+
-+
+        * src/UseTheForce/Makefile: regressing
-+
-+
+-10-19 15:40  gezelter
-+
-+
+        * src/: UseTheForce/DarkSide/calc_shapes.F90,
-+
+        UseTheForce/DarkSide/shapes_module.h, utils/StringUtils.cpp:
-+
+        working on shapes for portability
-+
-+
+-10-19 15:40  gezelter
-+
-+
+        * src/UseTheForce/: Makefile, Shapes_FF.cpp: working on shapes
-+
-+
+-10-19 13:21  chrisfen
-+
-+
+        * src/utils/: StringUtils.cpp, StringUtils.hpp: changed around
-+
+        findBegin
-+
-+
+-10-18 23:34  tim
-+
-+
+        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp: more bugs
-+
+        are fixed in Vector class
-+
-+
+-10-18 23:28  tim
-+
-+
+        * test/math/: RectMatrixTestCase.cpp, RectMatrixTestCase.hpp: fix
-+
+        some bugs in RectMatrixTestCase
-+
-+
+-10-18 23:21  tim
-+
-+
+        * src/math/Vector.hpp, test/math/RectMatrixTestCase.cpp,
-+
+        test/math/RectMatrixTestCase.hpp, test/math/Vector3TestCase.cpp,
-+
+        test/math/Vector3TestCase.hpp, test/math/VectorTestCase.cpp,
-+
+        test/math/VectorTestCase.hpp: implement more test cases
-+
-+
+-10-18 18:13  tim
-+
-+
+        * ChangeLog, make/Doxyfile, src/math/Matrix3x3d.hpp,
-+
+        src/math/RectMatrix.hpp, src/math/SquareMatrix.hpp,
-+
+        src/math/SquareMatrix3.hpp, src/math/Vector.hpp,
-+
+        src/utils/StringTokenizer.hpp, test/math/Makefile,
-+
+        test/math/VectorTestCase.cpp, test/math/VectorTestCase.hpp: more
-+
+        tests on math library
-+
-+
+-10-18 16:03  tim
-+
-+
+        * test/math/: Makefile, QuaternionTestCase.cpp,
-+
+        QuaternionTestCase.hpp, RectMatrixTestCase.cpp,
-+
+        SquareMatrix3TestCase.cpp, Vector3TestCase.cpp,
-+
+        Vector3TestCase.hpp, VectorTestCase.cpp, VectorTestCase.hpp: adding
-+
+        more testing units
-+
-+
+-10-18 12:07  tim
-+
-+
+        * src/: brains/SimSetup.hpp, io/FileReader.hpp, math/Euler3.cpp,
-+
+        math/Euler3.hpp, math/Quaternion.hpp, math/SquareMatrix3.hpp,
-+
+        math/Vector3.hpp, types/ShapeType.cpp, types/ShapeType.hpp,
-+
+        utils/GenericFactory.hpp: fix some bugs in Quaternion class
-+
-+
+-10-18 11:30  gezelter
-+
-+
+        * src/math/: RealSphericalHarmonic.cpp, RealSphericalHarmonic.hpp:
-+
+        Your basic run of the mill real-valued versions of Y_l^m(\theta,
-+
+        \phi)
-+
-+
+-10-18 11:29  gezelter
-+
-+
+        * src/: math/Makefile, math/Matrix3x3d.hpp, math/Vector3.hpp,
-+
+        types/Makefile, types/ShapeType.cpp, types/ShapeType.hpp,
-+
+        utils/StringUtils.cpp, utils/StringUtils.hpp: Working on getting
-+
+        Shapes into OOPSE
-+
-+
+-10-18 10:21  gezelter
-+
-+
+        * src/types/: ShapeType.cpp, ShapeType.hpp: Added ShapeType
-+
-+
+-10-18 00:23  tim
-+
-+
+        * test/math/VectorTestCase.hpp: adding  vector test case
-+
-+
+-10-18 00:23  tim
-+
-+
+        * src/utils/GenericFactory.hpp: adding generic factory and vector
-+
+        test case
-+
+-10-16 20:19  tim
+        * src/math/: Quaternion.hpp, RectMatrix.hpp, SquareMatrix.hpp,

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Comparing trunk/OOPSE-4/ChangeLog (file contents): Revision 1594 by tim, Mon Oct 18 23:13:23 2004 UTC vs. Revision 2727 by chrisfen, Fri Apr 21 19:32:07 2006 UTC

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Comparing trunk/OOPSE-4/ChangeLog (file contents):
Revision 1594 by tim, Mon Oct 18 23:13:23 2004 UTC vs.
Revision 2727 by chrisfen, Fri Apr 21 19:32:07 2006 UTC