[ViewVC] Diff of: group/trunk/OOPSE-2.0/ChangeLog

Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 2205 by gezelter, Fri Apr 15 22:22:10 2005 UTC vs.
Revision 2246 by chrisfen, Sun May 29 21:13:23 2005 UTC

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+-05-28 19:16  tim
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+        * src/visitors/: AtomNameVisitor.cpp, AtomNameVisitor.hpp: adding
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+        AtomNameVisitor
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+-05-28 19:09  tim
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+        * src/integrators/Integrator.cpp: dding resetIntegrator
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+-05-28 19:06  tim
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+        * src/integrators/: Integrator.cpp, Integrator.hpp, NPT.cpp,
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+        NPT.hpp, NPTi.cpp, NPTi.hpp, NVT.cpp, NVT.hpp,
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+        VelocityVerletIntegrator.cpp, VelocityVerletIntegrator.hpp: adding
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+        resetIntegrator
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+-05-27 16:11  tim
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+        * src/applications/staticProps/: DensityPlot.cpp, DensityPlot.hpp,
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+        Makefile, P2OrderParameter.cpp, SCDOrderParameter.cpp,
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+        SCDOrderParameter.hpp, StaticProps.cpp, StaticProps.ggo,
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+        StaticPropsCmd.c, StaticPropsCmd.h: adding DensityPlot into
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+        StaticProps
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+-05-26 23:41  tim
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+        * src/: applications/staticProps/Makefile,
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+        applications/staticProps/P2OrderParameter.cpp,
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+        applications/staticProps/P2OrderParameter.hpp,
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+        applications/staticProps/StaticProps.cpp,
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+        applications/staticProps/StaticProps.ggo,
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+        applications/staticProps/StaticPropsCmd.c,
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+        applications/staticProps/StaticPropsCmd.h, utils/StringUtils.cpp,
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+        utils/StringUtils.hpp: adding SCDOrderParameter into StaticProps
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+-05-26 17:45  tim
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+        * src/: applications/dump2Xyz/Dump2XYZ.cpp,
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+        applications/dump2Xyz/Dump2XYZCmd.c,
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+        applications/dump2Xyz/Dump2XYZCmd.h,
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+        applications/staticProps/Makefile,
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+        applications/staticProps/P2OrderParameter.cpp,
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+        applications/staticProps/P2OrderParameter.hpp,
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+        applications/staticProps/RadialDistrFunc.cpp,
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+        applications/staticProps/RadialDistrFunc.hpp,
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+        applications/staticProps/StaticAnalyser.hpp,
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+        applications/staticProps/StaticProps.cpp,
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+        applications/staticProps/StaticProps.ggo,
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+        applications/staticProps/StaticPropsCmd.c,
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+        applications/staticProps/StaticPropsCmd.h, visitors/Makefile,
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+        visitors/OtherVisitor.cpp, visitors/OtherVisitor.hpp: adding
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+        AtomNameVisitor to convert atom name to its base name;
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+        wrappingvisitor now wrap back to the center of the mass; adding
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+        P2OrderParameter into StaticProps
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+-05-22 16:36  chuckv
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+        * samples/metals/nanorod/Au_nanoparticle_FCC.md,
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+        src/applications/nanoRodBuilder/Geometry.cpp,
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+        src/applications/nanoRodBuilder/GeometryBuilder.cpp,
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+        src/applications/nanoRodBuilder/GeometryFactory.cpp,
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+        src/applications/nanoRodBuilder/GeometryFactory.hpp,
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+        src/applications/nanoRodBuilder/nanorodBuilder.cpp,
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+        src/integrators/VelocityVerletIntegrator.cpp: Fix to print pressure
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+        tensor.
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+-05-22 16:05  tim
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+        * src/: brains/Stats.cpp, brains/Stats.hpp, brains/Thermo.cpp,
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+        integrators/VelocityVerletIntegrator.cpp, io/Globals.cpp,
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+        io/Globals.hpp, io/SectionParserManager.cpp: adding keyword
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+        printPressureTensor
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+-05-20 14:27  tim
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+        * src/integrators/NPrT.cpp: NPrT in progress
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+-05-20 11:01  tim
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+        * src/: integrators/NPrT.cpp, io/Globals.cpp,
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+        utils/OOPSEConstant.hpp: NPrT in progress
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+-05-19 16:31  tim
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+        * src/: brains/Thermo.cpp, brains/Thermo.hpp, integrators/NPAT.cpp,
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+        integrators/NPrT.cpp, integrators/NPrT.hpp, io/Globals.cpp,
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+        io/Globals.hpp: NPAT is working
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+-05-19 10:49  tim
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+        * src/: UseTheForce/DarkSide/LJ.F90, integrators/Makefile,
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+        integrators/NPrT.cpp, io/Globals.cpp: fix bug in NPAT and NPrT
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+-05-18 23:28  tim
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+        * src/: brains/Register.cpp, integrators/NPAT.cpp,
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+        integrators/NPAT.hpp, integrators/NPrT.cpp, integrators/NPrT.hpp,
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+        io/Globals.cpp, io/Globals.hpp: adding NPAT and NPrT integrators
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+-05-18 14:06  chrisfen
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+        * forceFields/DUFF2.frc, src/UseTheForce/DarkSide/sticky.F90: just
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+        some tap changes
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+-05-18 13:31  chrisfen
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+        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90,
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+        DarkSide/sticky.F90: Modifications to temper the dipolar strength
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+        in the first solvation shell for tap
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+-05-18 07:35  chrisfen
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+        * samples/water/tap/: tap.in, tap.md, water.md: added a tap example
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+        for testing purposes
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+-05-17 17:35  chrisfen
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+        * ChangeLog, forceFields/DUFF2.frc, samples/water/dimer/ssd.md,
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+        samples/water/dimer/water.md, src/UseTheForce/DUFF.cpp,
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+        src/UseTheForce/doForces.F90,
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+        src/UseTheForce/DarkSide/electrostatic.F90,
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+        src/UseTheForce/DarkSide/electrostatic_interface.F90,
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+        src/UseTheForce/DarkSide/sticky.F90: Modifications to tap.  Also
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+        correcting changes to the previous merge that were not caught
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+-05-16 23:20  chuckv
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+        * src/types/: DirectionalAtomType.cpp, DirectionalAtomType.hpp:
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+        Fixed merge issues between Kyle and Chris so OOPSE will actually
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+        build.
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+-05-16 22:46  kdaily
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+        * src/io/: GayBerneAtomTypesSectionParser.cpp,
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+        GayBerneAtomTypesSectionParser.hpp, Makefile: help
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+-05-16 21:08  kdaily
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+        * forceFields/DUFF2.frc, src/UseTheForce/doForces.F90,
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+        src/UseTheForce/DarkSide/gb.F90, src/io/Makefile,
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+        src/types/DirectionalAtomType.cpp,
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+        src/types/DirectionalAtomType.hpp: added gb
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+-05-13 15:36  chrisfen
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+        * forceFields/DUFF2.frc: Better tap
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+-05-12 14:43  chrisfen
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+        * forceFields/DUFF2.frc, samples/water/dimer/ssd.in,
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+        samples/water/dimer/ssd.md, src/UseTheForce/DarkSide/sticky.F90,
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+        src/applications/dump2Xyz/Dump2XYZ.cpp,
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+        src/visitors/AtomVisitor.hpp: Couple of changes for TAP water.
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+        Need to parametrize.
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+-05-11 18:15  chuckv
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+        * src/: io/ShapeAtomTypesSectionParser.cpp,
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+        math/RealSphericalHarmonic.cpp, utils/CaseConversion.hpp: Fixed
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+        build issues under ifc7.
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+-05-09 17:07  chuckv
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+        * src/applications/nanoRodBuilder/Geometry.hpp: More geometry
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+        builder changes.
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+-05-05 10:06  chrisfen
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+        * forceFields/DUFF2.frc, samples/water/ssde/water.md: Changed SHED
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+        to TAP
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+-05-05 09:47  chrisfen
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+        * forceFields/DUFF2.frc, samples/water/ssde/ssde.md,
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+        samples/water/ssde/water.md, src/UseTheForce/DUFF.cpp,
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+        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/Makefile,
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+        src/UseTheForce/DarkSide/atype.F90,
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+        src/UseTheForce/DarkSide/atype_interface.F90,
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+        src/UseTheForce/DarkSide/simulation.F90,
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+        src/UseTheForce/DarkSide/sticky.F90, src/brains/SimInfo.cpp,
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+        src/brains/fSimulation.h, src/io/Makefile,
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+        src/io/StickyAtomTypesSectionParser.cpp,
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+        src/io/StickyPowerAtomTypesSectionParser.cpp,
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+        src/io/StickyPowerAtomTypesSectionParser.hpp,
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+        src/types/AtomType.cpp, src/types/AtomType.hpp,
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+        src/types/AtomTypeProperties.h, src/types/DirectionalAtomType.cpp,
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+        src/types/DirectionalAtomType.hpp: OOPSE setup for TAP water.  It's
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+        not parametrized, but OOPSE will now let me run it...
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+-05-03 17:55  chuckv
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+        * src/applications/nanoRodBuilder/: Geometry.cpp, Geometry.hpp,
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+        GeometryCreator.hpp, GeometryFactory.cpp, GeometryFactory.hpp:
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+        Adding support for generic geometry to nanorodbuilder.
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+-05-03 12:55  chuckv
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+        * src/applications/nanoRodBuilder/: GeometryBuilder.cpp,
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+        nanorodBuilder.cpp, nanorodBuilder.ggo, nanorodBuilderCmd.c,
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+        nanorodBuilderCmd.h: More changes to nanoRodBuilder....
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+-04-29 14:16  gezelter
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+        * make/Makefile.in: [no log message]
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+-04-29 11:26  chrisfen
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+        * forceFields/DUFF2.frc, samples/water/spce/water.md,
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+        samples/water/ssd/water.md, samples/water/ssd-ion/ssdCl.md,
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+        samples/water/ssd-ion/water.md, samples/water/ssde/water.md,
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+        samples/water/ssdrf/water.md, samples/water/tip3p_ice/water.md,
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+        samples/water/tip4p/water.md: Added TIP4P-Ew
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+-04-27 19:24  chuckv
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+        * src/applications/nanoRodBuilder/: GeometryBuilder.cpp,
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+        GeometryBuilder.hpp, nanorodBuilder.cpp, nanorodBuilder.ggo,
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+        nanorodBuilderCmd.c, nanorodBuilderCmd.h: Fixed issues with
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+        nanoRodBuilder....
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+-04-27 15:13  chrisfen
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+        * samples/shape/Shapes.frc, samples/shape/linear.shape,
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+        src/UseTheForce/DarkSide/atype.F90,
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+        src/UseTheForce/DarkSide/shapes.F90,
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+        src/UseTheForce/DarkSide/shapes_interface.F90,
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+        src/types/AtomType.cpp, src/types/ShapeAtomType.cpp: Got rid of
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+        write statements and am closer to a working shapes
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+-04-22 16:57  chuckv
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+        * src/utils/Predicate.hpp: Fixed gcc4 bug...
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+-04-22 16:52  tim
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+        * src/utils/: CaseConversion.hpp, Predicate.hpp, Trim.cpp,
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+        Trim.hpp: adding CharClassificationFunctor to fix the locale
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+        problem  of c++
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+-04-21 09:12  chrisfen
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+        * samples/shape/Shapes.frc, samples/shape/linear.in,
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+        samples/shape/linear.md, src/UseTheForce/ForceField.hpp,
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+        src/UseTheForce/ForceFieldFactory.hpp, src/UseTheForce/Makefile,
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+        src/UseTheForce/SHAPES_FF.cpp, src/UseTheForce/SHAPES_FF.hpp,
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+        src/UseTheForce/doForces.F90, src/UseTheForce/DarkSide/atype.F90,
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+        src/UseTheForce/DarkSide/shapes.F90,
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+        src/UseTheForce/DarkSide/shapes_interface.F90,
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+        src/UseTheForce/DarkSide/shapes_interface.h,
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+        src/brains/Register.cpp, src/brains/SimCreator.cpp,
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+        src/io/Makefile, src/io/SectionParser.cpp,
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+        src/io/SectionParser.hpp, src/io/SectionParserManager.cpp,
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+        src/io/ShapeAtomTypesSectionParser.cpp,
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+        src/io/ShapeAtomTypesSectionParser.hpp, src/math/Makefile,
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+        src/types/AtomType.cpp, src/types/ShapeAtomType.cpp,
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+        src/types/ShapeAtomType.hpp: Shapes is limping along with a array
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+        bounds overwrite (I think...). At least the parser loads the
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+        forcefield fine...
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+-04-18 10:44  chrisfen
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+        * src/UseTheForce/Shapes_FF.cpp: axed because file causes havoc on
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+        Mac (capitalization confusion of filenames)
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+-04-17 22:50  chrisfen
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+        * src/: UseTheForce/SHAPES_FF.cpp, UseTheForce/SHAPES_FF.hpp,
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+        UseTheForce/Shapes_FF.cpp,
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+        io/DirectionalAtomTypesSectionParser.cpp,
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+        io/ShapeAtomTypesSectionParser.cpp,
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+        io/ShapeAtomTypesSectionParser.hpp: Working on the shapes parser...
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+-04-15 17:43  gezelter
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+        * README: gmake in case people forget
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+-04-15 17:40  gezelter
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+        * src/applications/oopse/oopse.cpp: fixed the spacing on the
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+        banner.  Vanity.
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+-04-15 17:22  gezelter
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+        * src/: config.h.in, applications/oopse/oopse.cpp: Version string
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+        in banner (and version numbers in config.h)
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+-04-15 17:22  gezelter
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+        * ChangeLog, LICENSE, README: Documentation changes
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+-04-15 17:03  gezelter
+        * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,
+-09-29 12:56  gezelter
-<
+        * make/: Make.conf.in, Makefile.in: Working on make stuff
->
+        * make/: Make.conf.in, Makefile.in, _files/style.css: Working on
->
+        make stuff
+-09-29 12:46  tim
+        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
+        src/visitors/RigidBodyVisitor.cpp,
+        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
-<
+        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
->
+        src/visitors/ZconsVisitor.hpp, make/Makefile,
->
+        make/_files/style.css, samples/Makefile.in,
+        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
+        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
+        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
+        src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
+        src/visitors/RigidBodyVisitor.cpp,
+        src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
-<
+        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
->
+        src/visitors/ZconsVisitor.hpp, make/Makefile,
->
+        make/_files/style.css, samples/Makefile.in,
+        samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
+        samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
+        samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,

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Comparing trunk/OOPSE-2.0/ChangeLog (file contents): Revision 2205 by gezelter, Fri Apr 15 22:22:10 2005 UTC vs. Revision 2246 by chrisfen, Sun May 29 21:13:23 2005 UTC

Diff Legend

Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 2205 by gezelter, Fri Apr 15 22:22:10 2005 UTC vs.
Revision 2246 by chrisfen, Sun May 29 21:13:23 2005 UTC