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

Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 1233 by tim, Thu May 27 19:51:18 2004 UTC vs.
Revision 1234 by tim, Fri Jun 4 03:15:31 2004 UTC

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+-06-03 21:38  gezelter
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+        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
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+        libBASS/Makefile.in, libBASS/mpiBASS.h, libBASS/simError.c,
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+        libBASS/simError.h, libmdtools/Makefile.in, libmdtools/config.h.in,
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+        libmdtools/notifyCutoffs.F90, src/Makefile.in: Config changes for
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+        fortran access to SimError
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+-06-03 16:51  tim
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+        * libmdtools/: CallbackFunctor.cpp, CallbackFunctor.hpp,
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+        ConstraintAlgorithm.cpp, ConstraintAlgorithm.hpp,
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+        ConstraintElement.cpp, ConstraintElement.hpp,
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+        ConstraintIterator.hpp, ConstraintManager.cpp,
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+        ConstraintManager.hpp, ConstraintPair.hpp, Rattle.cpp, Rattle.hpp,
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+        Shake.cpp, Shake.hpp, ShakeMin.cpp, ShakeMin.hpp, TypeInfo.hpp: new
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+        implementation of constraint
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+-06-03 16:06  tim
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+        * libmdtools/DumpWriter.cpp: fixed a bug which only writes out the
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+        first atom of a molecule
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+-06-03 15:02  gezelter
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+        * libmdtools/SimSetup.cpp: Fixed groupOffset bug
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+-06-03 15:02  gezelter
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+        * ac-tools/: aclocal.m4, configure.in: Working on MPI scripting for
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+        autoconf
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+-06-02 13:28  gezelter
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+        * samples/: argon/Makefile, minimizer/argon/Makefile: Shouldn't
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+        have been in CVS
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+-06-02 13:28  gezelter
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+        * samples/: argon/Makefile, minimizer/argon/Makefile: Why is this
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+        in CVS?
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+-06-02 13:27  gezelter
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+        * libmdtools/: DUFF.cpp, EAM_FF.cpp, LJFF.cpp, Make.dep,
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+        Makefile.in, WATER.cpp: formatting error messages, dependency fixes
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+-06-02 13:27  gezelter
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+        * libBASS/simError.h: starting fortran-usable version of simError
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+-06-02 09:56  chrisfen
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+        * samples/: argon/Makefile, minimizer/argon/Makefile: Probably
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+        shouldn't be in CVS
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+-06-02 09:56  chrisfen
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+        * libmdtools/: Integrator.cpp, NVT.cpp, ReadWrite.hpp,
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+        Restraints.cpp, SimInfo.cpp, StatWriter.cpp: Formatting Changes,
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+        removed writeRaw
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+-06-02 09:56  chrisfen
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+        * libBASS/simError.c: Formatting Changes
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+-06-02 09:21  gezelter
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+        * libBASS/simError.c, libBASS/simError.h, libmdtools/SimInfo.cpp:
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+        severity levels in simError
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+-06-01 16:45  gezelter
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+        * libmdtools/: Exclude.cpp, SimInfo.cpp, calc_LJ_FF.F90,
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+        do_Forces.F90, mpiSimulation.cpp, neighborLists.F90,
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+        simulation_module.F90: Bug fix (fixes of skipList and neighbor list
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+        under MPI)
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+-06-01 16:44  gezelter
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+        * libBASS/MoleculeStamp.cpp: Bug fix (memory leak)
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+-06-01 13:43  gezelter
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+        * samples/: argon/argon.bass, minimizer/argon/argon.bass: Testing
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+-06-01 13:42  gezelter
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+        * libmdtools/: SimInfo.cpp, SimInfo.hpp, SimSetup.cpp,
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+        SimSetup.hpp, do_Forces.F90, fortranWrapDefines.hpp,
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+        mpiSimulation.cpp, mpiSimulation_module.F90, simulation_module.F90:
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+        Cutoff Groups for MPI
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+-06-01 13:07  chrisfen
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+        * libmdtools/: ForceFields.cpp, StatWriter.cpp: Fixed bug in
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+        useLiquidThermInt routine in ForceFields.cpp
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+-06-01 12:15  chrisfen
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+        * libmdtools/: ForceFields.cpp, Integrator.cpp, SimInfo.cpp,
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+        SimInfo.hpp, SimSetup.cpp, StatWriter.cpp: Implemented a separate
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+        solid and liquid thermodynamic integration routines
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+-06-01 10:57  tim
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+        * libmdtools/: CutoffGroup.hpp, SimSetup.cpp: cutoff group in
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+        progress
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+-06-01 09:27  chrisfen
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+        * libBASS/: Globals.cpp, Globals.hpp: Added useLiquidThermInt
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+        keyword and changed useThermInt to useSolidThermInt
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+-06-01 09:21  chrisfen
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+        * libBASS/: Globals.cpp, Globals.hpp: Paving the way for separate
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+        solid and liquid thermodynamic integration routines
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+-05-28 10:21  gezelter
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+        * libmdtools/do_Forces.F90: bugfix starting
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+-05-27 15:06  chrisfen
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+        * libmdtools/: Integrator.cpp, StatWriter.cpp: Fixed a bug in
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+        Integrator.cpp where it called writeRaw() when useThermInt =
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+        false...
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+-05-27 14:51  tim
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+        * ChangeLog, libmdtools/do_Forces.F90,
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+        libmdtools/simulation_module.F90: Bug fix for SkipList
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+-05-27 14:26  gezelter
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+        * libmdtools/SimSetup.cpp: bugfix in simsetup?
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+-05-27 13:59  gezelter
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+        * libmdtools/: DumpReader.cpp, DumpWriter.cpp,
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+        InitializeFromFile.cpp, SimInfo.cpp, SimSetup.cpp, SimSetup.hpp,
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+        ZConsWriter.cpp, ZConstraint.cpp, fortranWrapDefines.hpp,
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+        mdProfile.cpp, mpiSimulation.cpp, mpiSimulation.hpp,
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+        mpiSimulation_module.F90, randomSPRNG.cpp, simulation_module.F90:
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+        Cutoff group changes under MPI
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+-05-27 11:20  gezelter
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+        * configure, ac-tools/aclocal.m4, ac-tools/configure.in: Fixes for
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+        xlc++
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+-05-27 10:31  tim
+        * libmdtools/SimInfo.cpp: groupList new bases on global index of

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Comparing trunk/OOPSE/ChangeLog (file contents): Revision 1233 by tim, Thu May 27 19:51:18 2004 UTC vs. Revision 1234 by tim, Fri Jun 4 03:15:31 2004 UTC

Diff Legend

Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 1233 by tim, Thu May 27 19:51:18 2004 UTC vs.
Revision 1234 by tim, Fri Jun 4 03:15:31 2004 UTC