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

Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 1118 by tim, Mon Apr 19 03:52:27 2004 UTC vs.
Revision 1152 by tim, Mon May 10 20:28:14 2004 UTC

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+-05-07 16:36  gezelter
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+        * libmdtools/: fSwitchingFunction.h, switch_module.F90: New module
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+        for fortran group-based switching function
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+-05-07 16:35  gezelter
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+        * libmdtools/: Atom.hpp, ForceFields.cpp, Integrator.cpp,
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+        Makefile.in, SimInfo.cpp, SimState.cpp, SimState.hpp,
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+        calc_LJ_FF.F90, calc_charge_charge.F90, calc_dipole_dipole.F90,
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+        calc_eam.F90, calc_gb.F90, calc_sticky_pair.F90, do_Forces.F90,
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+        force_globals.F90, fortranWrapDefines.hpp, mpiComponentPlan.h,
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+        mpiSimulation_module.F90, neighborLists.F90, notifyCutoffs.F90,
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+        simulation_module.F90: Many changes to get group-based cutoffs to
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+        work
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+-05-01 13:52  tim
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+        * ChangeLog, libmdtools/ForceFields.cpp, libmdtools/Integrator.cpp,
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+        libmdtools/OOPSEMinimizer.cpp, libmdtools/SimInfo.cpp,
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+        libmdtools/SimInfo.hpp, libmdtools/calc_charge_charge.F90,
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+        libmdtools/do_Forces.F90, libmdtools/fSimulation.h,
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+        libmdtools/fortranWrapDefines.hpp,
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+        libmdtools/simulation_module.F90: C++ pass groupList to fortran
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+-04-29 11:03  tim
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+        * ChangeLog, libmdtools/calc_charge_charge.F90: fixed two bugs in
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+        calc_charge_charge when using molecular cutoff
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+-04-28 21:11  tim
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+        * libmdtools/: ForceFields.cpp, fortranWrapDefines.hpp: fix an
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+        unmatched c/fortran interface
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+-04-28 18:09  tim
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+        * ChangeLog, libmdtools/Integrator.hpp, libmdtools/ZConstraint.cpp:
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+        keep the previous position of cantilever in SMD
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+-04-28 17:34  tim
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+        * ChangeLog, libmdtools/Molecule.cpp, libmdtools/Molecule.hpp,
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+        libmdtools/OtherVisitor.cpp, libmdtools/ZconsVisitor.cpp: fix a bug
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+        in Molecule.cpp which initialize massRatio before creat the array.
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+        fix two bugs in ZconsVisitor
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+-04-28 17:06  gezelter
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+        * libmdtools/: MatVec3.h, SimInfo.cpp, SimInfo.hpp, SimSetup.cpp:
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+        Adding molecular cutoffs
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+-04-28 16:39  gezelter
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+        * libmdtools/: calc_charge_charge.F90, do_Forces.F90,
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+        fSimulation.h, force_globals.F90, simulation_module.F90: work on
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+        molecular cutoffs
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+-04-28 16:39  gezelter
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+        * libBASS/: Globals.cpp, Globals.hpp: useMolecularCutoffs added to
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+        Globals
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+-04-27 11:26  tim
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+        * libmdtools/: Atom.cpp, Atom.hpp, DirectionalAtom.cpp,
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+        ForceFields.cpp, Molecule.cpp, SimState.cpp, SimState.hpp,
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+        fSimulation.h, fortranWrapDefines.hpp: add center of mass of the
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+        molecule and massRation into atom class
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+-04-26 16:16  mmeineke
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+        * libBASS/Globals.cpp: modified the defaults for the system init
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+        time and system init state.
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+-04-26 09:29  gezelter
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+        * libmdtools/: Thermo.cpp, calc_charge_charge.F90: Fixed a bug in
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+        calc_charge_charge.F90
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+-04-23 23:31  tim
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+        * ChangeLog, libmdtools/AtomVisitor.cpp,
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+        libmdtools/calc_charge_charge.F90, libmdtools/do_Forces.F90: add
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+        reaction field correction to charge-charge interaction
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+-04-22 16:33  tim
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+        * libmdtools/: InitializeFromFile.cpp, SimInfo.cpp, SimInfo.hpp,
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+        Thermo.cpp, calc_charge_charge.F90, do_Forces.F90: change the
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+        calculation of pressure tensor
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+-04-22 09:55  tim
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+        * libmdtools/: DumpReader.cpp, InitializeFromFile.cpp: fixed
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+        another bug in InitFromFile. MPI verion of OOPSE is working again
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+-04-21 22:29  tim
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+        * libmdtools/: AtomVisitor.cpp, DumpReader.cpp, DumpWriter.cpp,
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+        InitializeFromFile.cpp, NPT.cpp, NVT.cpp, OtherVisitor.cpp,
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+        SimSetup.cpp, calc_charge_charge.F90, mpiSimulation.cpp: fixed two
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+        bugs in MPI version of InitfromFile and one unmatch MPI command in
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+        DumpWriter
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+-04-21 00:32  tim
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+        * libmdtools/Functor.hpp, libmdtools/LinearCons.cpp,
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+        libmdtools/LinearCons.hpp, utils/CmdlineZsub.c,
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+        utils/CmdlineZsub.h, utils/zsub.cpp, utils/zsub.ggo: remove some
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+        useless files
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+-04-20 11:56  tim
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+        * libmdtools/: Integrator.cpp, NVT.cpp, OtherVisitor.cpp,
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+        SimInfo.cpp, Thermo.cpp, Thermo.hpp: fixed getCOMVel  and
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+        velocitize at thermo
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+-04-20 00:39  tim
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+        * ChangeLog, libmdtools/Atom.cpp, libmdtools/Atom.hpp,
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+        libmdtools/AtomVisitor.cpp, libmdtools/AtomVisitor.hpp,
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+        libmdtools/CompositeVisitor.cpp, libmdtools/CompositeVisitor.hpp,
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+        libmdtools/DirectionalAtom.hpp, libmdtools/GenericData.hpp,
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+        libmdtools/OtherVisitor.cpp, libmdtools/OtherVisitor.hpp,
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+        libmdtools/RigidBodyVisitor.cpp, libmdtools/RigidBodyVisitor.hpp,
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+        utils/Dump2XYZ.cpp, utils/Dump2XYZ.ggo, utils/Dump2XYZCmd.c,
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+        utils/Dump2XYZCmd.h: DUMP2XYZ 0.99 version
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+-04-19 17:13  gezelter
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+        * libmdtools/: Atom.cpp, Integrator.cpp, NVT.cpp, SimInfo.cpp,
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+        Thermo.cpp: Fixed a charge bug
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+-04-19 15:54  tim
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+        * libmdtools/CompositeVisitor.cpp, libmdtools/CompositeVisitor.hpp,
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+        libmdtools/OtherVisitor.cpp, libmdtools/OtherVisitor.hpp,
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+        libmdtools/RigidBody.cpp, utils/Make.dep, utils/Makefile.in: fixed
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+        a bug in CompositeVisitor which cause the double counting problem
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+-04-19 12:44  tim
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+        * libmdtools/AtomVisitor.cpp, libmdtools/AtomVisitor.hpp,
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+        libmdtools/BaseVisitor.hpp, libmdtools/CompositeVisitor.cpp,
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+        libmdtools/DumpReader.cpp, libmdtools/Make.dep,
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+        libmdtools/OtherVisitor.cpp, libmdtools/RigidBodyVisitor.cpp,
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+        libmdtools/ZconsVisitor.cpp, utils/Dump2XYZ.cpp, utils/Makefile.in:
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+        Dump2XYZ is almost working except atoms in rigidbody are double
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+        counted
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+-04-18 22:52  tim
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+        * ChangeLog, libmdtools/Atom.cpp, libmdtools/Atom.hpp,
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+        libmdtools/AtomVisitor.cpp, libmdtools/AtomVisitor.hpp,
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+        libmdtools/BaseVisitor.hpp, libmdtools/CompositeVisitor.cpp,
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+        libmdtools/CompositeVisitor.hpp, libmdtools/DumpReader.cpp,
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+        libmdtools/GenericData.cpp, libmdtools/GenericData.hpp,
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+        libmdtools/Integrator.cpp, libmdtools/Makefile.in,
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+        libmdtools/MatVec3.h, libmdtools/OtherVisitor.cpp,
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+        libmdtools/OtherVisitor.hpp, libmdtools/ReadWrite.hpp,
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+        libmdtools/RigidBody.cpp, libmdtools/RigidBody.hpp,
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+        libmdtools/RigidBodyVisitor.cpp, libmdtools/RigidBodyVisitor.hpp,
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+        libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp,
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+        libmdtools/StuntDouble.cpp, libmdtools/StuntDouble.hpp,
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+        libmdtools/Thermo.cpp, libmdtools/ZConsReader.cpp,
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+        libmdtools/ZConsReader.hpp, libmdtools/ZconsVisitor.cpp,
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+        libmdtools/ZconsVisitor.hpp, utils/Dump2XYZ.cpp,
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+        utils/Dump2XYZ.ggo, utils/Dump2XYZCmd.c, utils/Dump2XYZCmd.h: new
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+        implement of quickLate using visitor and composite pattern
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+-04-15 17:15  tim
+        * libmdtools/SimSetup.cpp, utils/zsub.cpp: fix a bug in setting

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Comparing trunk/OOPSE/ChangeLog (file contents): Revision 1118 by tim, Mon Apr 19 03:52:27 2004 UTC vs. Revision 1152 by tim, Mon May 10 20:28:14 2004 UTC

Diff Legend

Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 1118 by tim, Mon Apr 19 03:52:27 2004 UTC vs.
Revision 1152 by tim, Mon May 10 20:28:14 2004 UTC