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

Comparing trunk/OOPSE-4/ChangeLog (file contents):
Revision 2229 by chrisfen, Tue May 17 22:35:01 2005 UTC vs.
Revision 2337 by chrisfen, Wed Sep 28 18:46:04 2005 UTC

-+
+-09-28 11:55  tim
-+
-+
+        * src/math/SquareMatrix3.hpp: using epsilon instead of 0.0 to avoid
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+        divergence in rotation matrix to quaternion transformation
-+
-+
+-09-28 11:32  gezelter
-+
-+
+        * src/primitives/RigidBody.cpp: Rotation matrix multiplication
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+        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
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+        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
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+        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,
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+        thermoIntegration/liquid/ssde.md, thermoIntegration/solid/ssde.md,
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+        water/dimer/cl.md, water/dimer/mix.md, water/dimer/mix2.md,
-+
+        water/dimer/ssd.md, water/dimer/tap.md, water/dimer/two.md,
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+        water/spce/spce.md, water/ssd/ssd.md, water/ssd-ion/ssdCl.md,
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+        water/ssde/ssde.md, water/tap/tap.md, water/tip3p_ice/tp3.md,
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+        water/tip4p/tp4.md: fixing up some samples
-+
-+
+-09-24 12:39  chrisfen
-+
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+        * src/UseTheForce/DarkSide/electrostatic.F90: slowdown fixed - now
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+        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
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+        skin thickness and hardcode listSkin to be 1.0. We now get listskin
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+        from skin. This will get fixed to where we can manually set skin
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+        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
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+        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
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+        map.
-+
-+
+-09-21 15:59  tim
-+
-+
+        * src/io/: DumpReader.cpp, DumpReader.hpp, DumpWriter.cpp:
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+        DumpReader using pure c++ io
-+
-+
+-09-21 12:20  chrisfen
-+
-+
+        * src/UseTheForce/: doForces.F90, DarkSide/LJ.F90: Fixed a
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+        defaultCutoff bug (HEMES!)
-+
-+
+-09-20 17:13  gezelter
-+
-+
+        * make/Makefile.in: libz additions
-+
-+
+-09-20 17:03  gezelter
-+
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+        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
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+        src/config.h.in: added check for zlib in configure
-+
-+
+-09-20 16:22  tim
-+
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+        * src/io/: DumpWriter.cpp, DumpWriter.hpp, Makefile, gzstream.cpp,
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+        gzstream.hpp, zipstream.hpp: adding zlib support for DumpWriter
-+
-+
+-09-20 11:22  tim
-+
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+        * test/io/: ZipstreamTestCase.cpp, ZipstreamTestCase.hpp: adding
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+        testcase for zipstream
-+
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+-09-20 10:41  tim
-+
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+        * src/io/zipstream.hpp: adding zipstream.hpp
-+
-+
+-09-20 10:34  chrisfen
-+
-+
+        * samples/: dipole/splitInWater.md, dipole/split_SSD.md,
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+        dipole/twoSplitDipole.md, minimizer/ssdEM.md,
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+        minimizer/tip4p_two.md, water/ssdrf/ssdrf.md, zcons/zconsFixed.md,
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+        zcons/zconsMoving.md: fixed up some sample md files
-+
-+
+-09-19 18:21  chrisfen
-+
-+
+        * ChangeLog, samples/water/ssdrf/ssdrf.md,
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+        src/UseTheForce/doForces.F90,
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+        src/UseTheForce/DarkSide/electrostatic.F90,
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+        src/UseTheForce/DarkSide/simulation.F90, src/brains/SimInfo.cpp,
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+        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,
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+        src/UseTheForce/doForces.F90,
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+        src/UseTheForce/doForces_interface.F90,
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+        src/UseTheForce/doForces_interface.h,
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+        src/UseTheForce/DarkSide/electrostatic.F90,
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+        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
-+
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+        * src/io/: Globals.cpp, Globals.hpp: Added keywords for compressed
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+        dump files.
-+
-+
+-09-16 16:07  chrisfen
-+
-+
+        * src/: UseTheForce/doForces_interface.F90,
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+        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
-+
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+        * src/brains/SimInfo.cpp: fixed a capitalization error
-+
-+
+-09-16 14:34  chrisfen
-+
-+
+        * src/UseTheForce/: fElectrostaticSummationMethod.h,
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+        DarkSide/fElectrostaticSummationMethod.h: moved a header file
-+
+        around
-+
-+
+-09-16 14:00  chrisfen
-+
-+
+        * src/: UseTheForce/DarkSide/electrostatic_interface.F90,
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+        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,
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+        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,
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+        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
-+
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+        * 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
-+
-+
+        * samples/metals/nanorod/Au_nanoparticle_FCC.md,
-+
+        src/applications/nanoRodBuilder/Geometry.cpp,
-+
+        src/applications/nanoRodBuilder/GeometryBuilder.cpp,
-+
+        src/applications/nanoRodBuilder/GeometryFactory.cpp,
-+
+        src/applications/nanoRodBuilder/GeometryFactory.hpp,
-+
+        src/applications/nanoRodBuilder/nanorodBuilder.cpp,
-+
+        src/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:

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Comparing trunk/OOPSE-4/ChangeLog (file contents): Revision 2229 by chrisfen, Tue May 17 22:35:01 2005 UTC vs. Revision 2337 by chrisfen, Wed Sep 28 18:46:04 2005 UTC

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Comparing trunk/OOPSE-4/ChangeLog (file contents):
Revision 2229 by chrisfen, Tue May 17 22:35:01 2005 UTC vs.
Revision 2337 by chrisfen, Wed Sep 28 18:46:04 2005 UTC