--- trunk/OOPSE-2.0/ChangeLog 2005/04/15 22:22:10 2205 +++ trunk/OOPSE-2.0/ChangeLog 2005/05/17 22:35:01 2229 @@ -1,3 +1,168 @@ +2005-05-16 23:20 chuckv + + * src/types/: DirectionalAtomType.cpp, DirectionalAtomType.hpp: + Fixed merge issues between Kyle and Chris so OOPSE will actually + build. + +2005-05-16 22:46 kdaily + + * src/io/: GayBerneAtomTypesSectionParser.cpp, + GayBerneAtomTypesSectionParser.hpp, Makefile: help + +2005-05-16 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 + +2005-05-13 15:36 chrisfen + + * forceFields/DUFF2.frc: Better tap + +2005-05-12 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. + +2005-05-11 18:15 chuckv + + * src/: io/ShapeAtomTypesSectionParser.cpp, + math/RealSphericalHarmonic.cpp, utils/CaseConversion.hpp: Fixed + build issues under ifc7. + +2005-05-09 17:07 chuckv + + * src/applications/nanoRodBuilder/Geometry.hpp: More geometry + builder changes. + +2005-05-05 10:06 chrisfen + + * forceFields/DUFF2.frc, samples/water/ssde/water.md: Changed SHED + to TAP + +2005-05-05 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... + +2005-05-03 17:55 chuckv + + * src/applications/nanoRodBuilder/: Geometry.cpp, Geometry.hpp, + GeometryCreator.hpp, GeometryFactory.cpp, GeometryFactory.hpp: + Adding support for generic geometry to nanorodbuilder. + +2005-05-03 12:55 chuckv + + * src/applications/nanoRodBuilder/: GeometryBuilder.cpp, + nanorodBuilder.cpp, nanorodBuilder.ggo, nanorodBuilderCmd.c, + nanorodBuilderCmd.h: More changes to nanoRodBuilder.... + +2005-04-29 14:16 gezelter + + * make/Makefile.in: [no log message] + +2005-04-29 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 + +2005-04-27 19:24 chuckv + + * src/applications/nanoRodBuilder/: GeometryBuilder.cpp, + GeometryBuilder.hpp, nanorodBuilder.cpp, nanorodBuilder.ggo, + nanorodBuilderCmd.c, nanorodBuilderCmd.h: Fixed issues with + nanoRodBuilder.... + +2005-04-27 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 + +2005-04-22 16:57 chuckv + + * src/utils/Predicate.hpp: Fixed gcc4 bug... + +2005-04-22 16:52 tim + + * src/utils/: CaseConversion.hpp, Predicate.hpp, Trim.cpp, + Trim.hpp: adding CharClassificationFunctor to fix the locale + problem of c++ + +2005-04-21 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... + +2005-04-18 10:44 chrisfen + + * src/UseTheForce/Shapes_FF.cpp: axed because file causes havoc on + Mac (capitalization confusion of filenames) + +2005-04-17 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... + +2005-04-15 17:43 gezelter + + * README: gmake in case people forget + +2005-04-15 17:40 gezelter + + * src/applications/oopse/oopse.cpp: fixed the spacing on the + banner. Vanity. + +2005-04-15 17:22 gezelter + + * src/: config.h.in, applications/oopse/oopse.cpp: Version string + in banner (and version numbers in config.h) + +2005-04-15 17:22 gezelter + + * ChangeLog, LICENSE, README: Documentation changes + 2005-04-15 17:03 gezelter * src/: UseTheForce/DUFF.cpp, UseTheForce/DUFF.hpp,