--- trunk/OOPSE-2.0/ChangeLog 2005/05/17 22:35:01 2229 +++ trunk/OOPSE-2.0/ChangeLog 2005/05/29 21:13:23 2246 @@ -1,3 +1,128 @@ +2005-05-28 19:16 tim + + * src/visitors/: AtomNameVisitor.cpp, AtomNameVisitor.hpp: adding + AtomNameVisitor + +2005-05-28 19:09 tim + + * src/integrators/Integrator.cpp: dding resetIntegrator + +2005-05-28 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 + +2005-05-27 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 + +2005-05-26 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 + +2005-05-26 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 + +2005-05-22 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. + +2005-05-22 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 + +2005-05-20 14:27 tim + + * src/integrators/NPrT.cpp: NPrT in progress + +2005-05-20 11:01 tim + + * src/: integrators/NPrT.cpp, io/Globals.cpp, + utils/OOPSEConstant.hpp: NPrT in progress + +2005-05-19 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 + +2005-05-19 10:49 tim + + * src/: UseTheForce/DarkSide/LJ.F90, integrators/Makefile, + integrators/NPrT.cpp, io/Globals.cpp: fix bug in NPAT and NPrT + +2005-05-18 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 + +2005-05-18 14:06 chrisfen + + * forceFields/DUFF2.frc, src/UseTheForce/DarkSide/sticky.F90: just + some tap changes + +2005-05-18 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 + +2005-05-18 07:35 chrisfen + + * samples/water/tap/: tap.in, tap.md, water.md: added a tap example + for testing purposes + +2005-05-17 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 + 2005-05-16 23:20 chuckv * src/types/: DirectionalAtomType.cpp, DirectionalAtomType.hpp: @@ -5619,7 +5744,8 @@ 2004-09-29 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 2004-09-29 12:46 tim @@ -5885,7 +6011,8 @@ 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, @@ -6060,7 +6187,8 @@ 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,