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

Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 660 by tim, Thu Jul 31 19:59:34 2003 UTC vs.
Revision 727 by tim, Wed Aug 27 16:16:01 2003 UTC

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+-08-26 15:37  tim
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+        * libmdtools/: Integrator.cpp, ZConstraint.cpp, do_Forces.F90,
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+        mpiSimulation.cpp: set default force substraction policy to
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+        PolicyByMass
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+-08-26 15:29  tim
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+        * libmdtools/Integrator.cpp: [no log message]
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+-08-26 15:13  mmeineke
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+        * utils/sysbuilder/bilayerSys.cpp: added define statemewnt to
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+        Statwriter and Dumpwriter to handle files larger than 2 gb.
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+        commented out some print statements in Zconstraint
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+        hard coding some system init into bilayer.sys
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+-08-26 15:12  mmeineke
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+        * libmdtools/: DumpWriter.cpp, StatWriter.cpp, ZConstraint.cpp:
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+        added define statemewnt to Statwriter and Dumpwriter to handle
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+        files larger than 2 gb.
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+        commented out some print statements in Zconstraint
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+-08-26 15:02  tim
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+        * libmdtools/SimSetup.cpp: Use make_sprng_seed() to generate seed
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+        and check the seed which is specified by user at least contains 9
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+        digits
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+-08-26 13:32  mmeineke
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+        * libmdtools/DUFF.cpp: changed the Makefiel a litle.
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+        Fixed a bug in MPI_DUFF. The atom block type was not being properly
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+        constucted in MPI. (The MPI struct had 6 doubles declared versus
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+        the actual 11)
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+-08-26 13:30  mmeineke
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+        * Makefile: changed the Makefiel a litle.
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+-08-25 17:17  gezelter
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+        * utils/sysbuilder/Makefile: More FreeBSD fixes
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+-08-25 16:51  gezelter
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+        * libBASS/BASSlex.l, libBASS/Makefile, libmdtools/Integrator.hpp,
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+        libmdtools/Makefile, src/Makefile: [no log message]
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+-08-22 15:04  mmeineke
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+        * libmdtools/: Integrator.cpp, ZConstraint.cpp: small bug fix on
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+        frequency of output dumps.
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+-08-20 17:23  tim
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+        * libBASS/Globals.hpp, libmdtools/SimInfo.hpp,
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+        libmdtools/SimSetup.cpp, libmdtools/Thermo.cpp,
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+        libmdtools/mpiSimulation.cpp: user can setup seed in bass file now,
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+        if he does not specify any value for seed, oopse will take the
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+        value of seconds of system time as seed
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+-08-20 14:42  mmeineke
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+        * libmdtools/Atom.cpp, libmdtools/DUFF.cpp,
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+        libmdtools/GhostBend.cpp, libmdtools/SRI.hpp,
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+        libmdtools/SimSetup.cpp, libmdtools/SimState.cpp,
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+        utils/sysbuilder/bilayerSys.cpp: updated the Changelog.
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+        added some bug fixes for setting the random number generator seed
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+        value.
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+        fixed a bug where ghostbend atom b was not being set. ( recent bug
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+        from SimState conversion)
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+-08-20 14:41  mmeineke
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+        * libBASS/Globals.hpp: updated the Changelog.
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+        added some bug fixes for setting the random number generator seed
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+        value.
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+-08-20 14:41  mmeineke
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+        * ChangeLog: updated the Changelog.
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+-08-20 14:11  tim
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+        * libBASS/Globals.cpp, libmdtools/DUFF.cpp,
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+        libmdtools/GhostBend.cpp, libmdtools/SRI.hpp: bug fixed in ghost
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+        bend class
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+-08-20 10:13  mmeineke
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+        * utils/: Makefile, sysbuilder/Makefile: quick makefile fix, in
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+        make links. added -f to ln -s.
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+-08-20 09:50  tim
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+        * libmdtools/: ZConsWriter.cpp, ZConstraint.cpp: [no log message]
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+-08-20 09:34  tim
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+        * libmdtools/: Integrator.hpp, SimSetup.cpp, ZConsWriter.cpp,
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+        ZConstraint.cpp: reformmating ZConstraint and fixe bug of error msg
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+        printing
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+-08-18 15:59  chuckv
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+        * utils/sysbuilder/: MoLocator.cpp, MoLocator.hpp, bilayerSys.cpp,
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+        latticeBuilder.cpp, latticeBuilder.hpp, nanoBuilder.cpp,
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+        sysBuild.cpp, sysBuild.hpp: Fixed sysBuild -bilayer works.
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+        Nanobuilder still broke.
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+-08-15 14:24  tim
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+        * libBASS/Globals.cpp, libBASS/Globals.hpp,
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+        libmdtools/GenericData.hpp, libmdtools/Integrator.hpp,
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+        libmdtools/SimInfo.cpp, libmdtools/SimSetup.cpp,
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+        libmdtools/ZConsWriter.cpp, libmdtools/ZConsWriter.hpp,
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+        libmdtools/ZConstraint.cpp: Tested MPI version of Z-Constraint
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+        Method
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+-08-14 11:16  tim
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+        * libmdtools/: Integrator.hpp, ZConstraint.cpp: Stable ZConstraint
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+        with average force substraction strategy
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+-08-13 16:20  chuckv
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+        * libmdtools/: do_Forces.F90, mpiSimulation_module.F90: Added some
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+        profiling code -DPROFILE.
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+-08-13 14:21  tim
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+        * libBASS/Globals.cpp, libBASS/Globals.hpp,
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+        libmdtools/Integrator.cpp, libmdtools/Integrator.hpp,
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+        libmdtools/SimSetup.cpp, libmdtools/ZConstraint.cpp: harmonic
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+        potential & z-contraint method
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+-08-12 16:44  mmeineke
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+        * libBASS/BASS_interface.cpp, libBASS/Globals.hpp,
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+        libmdtools/Atom.cpp, libmdtools/DUFF.cpp,
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+        libmdtools/DirectionalAtom.cpp, libmdtools/InitializeFromFile.cpp,
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+        libmdtools/SimInfo.cpp, libmdtools/SimSetup.cpp: fixed a really
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+        annoying bug in Directional Atom, where mu was getting written to
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+        pseudorandom memory location.
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+-08-12 14:56  tim
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+        * libBASS/BASS_interface.cpp, libBASS/Globals.cpp,
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+        libBASS/Globals.hpp, libmdtools/Atom.hpp,
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+        libmdtools/DirectionalAtom.cpp, libmdtools/InitializeFromFile.cpp,
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+        libmdtools/SimSetup.cpp: debugging globals
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+-08-12 13:40  gezelter
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+        * forceFields/: DUFF.frc, EAM_FF.frc, LJFF.frc: formatting fixes
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+        and new atypes in LJFF
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+-08-12 13:15  gezelter
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+        * forceFields/: DUFF.frc, LJFF.frc: fixed a few references to older
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+        stuff...
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+-08-12 13:14  chuckv
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+        * utils/sysbuilder/sysBuild.ggo: Added comment line for getgetopt.
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+-08-12 13:04  chuckv
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+        * utils/: nanoBuilder.cpp, nanoBuilder.hpp, nanoSysBuild.cpp:
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+        Missed del of files before.
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+-08-12 13:03  chuckv
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+        * utils/sysbuilder/: MPIobj/placeHolder, obj/placeHolder: [no log
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+        message]
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+-08-12 13:01  chuckv
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+        * utils/sysbuilder/Makefile: commit makefile
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+-08-12 12:51  tim
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+        * libBASS/Globals.cpp, libBASS/Globals.hpp,
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+        libmdtools/GenericData.cpp, libmdtools/GenericData.hpp,
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+        libmdtools/Integrator.hpp, libmdtools/SimSetup.cpp,
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+        libmdtools/SimSetup.hpp, libmdtools/ZConstraint.cpp: added
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+        harmonical potential to z-constraint method
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+-08-11 17:31  chuckv
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+        * utils/Makefile: Changed makefile to only build quicklate.
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+-08-11 17:25  chuckv
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+        * ac-tools/configure.in: added utils/sysbuilder to be built.
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+-08-11 17:12  chuckv
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+        * utils/: MoLocator.cpp, MoLocator.hpp, bilayerSys.cpp,
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+        bilayerSys.hpp, latticeBuilder.cpp, latticeBuilder.hpp,
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+        sysBuild.cpp, sysBuild.ggo, sysBuild.hpp, sysbuilder/MoLocator.cpp,
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+        sysbuilder/MoLocator.hpp, sysbuilder/bilayerSys.cpp,
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+        sysbuilder/bilayerSys.hpp, sysbuilder/cmdline.c,
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+        sysbuilder/cmdline.h, sysbuilder/latticeBuilder.cpp,
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+        sysbuilder/latticeBuilder.hpp, sysbuilder/nanoBuilder.cpp,
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+        sysbuilder/nanoBuilder.hpp, sysbuilder/sysBuild.cpp,
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+        sysbuilder/sysBuild.ggo, sysbuilder/sysBuild.hpp: Arranged
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+        sysbuilder into a subdirectory. Fixed some of sysbuilder to work
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+        with new atom allocation in libmdtools.
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+-08-11 14:41  tim
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+        * libmdtools/: Integrator.cpp, Integrator.hpp: added method of
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+        moving zconstraint molecules to specified positions
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+-08-11 14:39  tim
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+        * libmdtools/: SimSetup.cpp, ZConstraint.cpp: [no log message]
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+-08-11 14:38  mmeineke
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+        * libBASS/BASS_interface.cpp, libBASS/BASS_interface.h,
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+        libBASS/BASS_parse.c, libBASS/BASSyacc.y, libBASS/Globals.cpp,
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+        libBASS/Globals.hpp, libBASS/Makefile, libBASS/ZconStamp.cpp,
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+        libBASS/ZconStamp.hpp, libBASS/interface.c, libBASS/make_nodes.c,
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+        libBASS/make_nodes.h, libBASS/mpiBASS.c, libBASS/mpiBASS.h,
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+        libBASS/node_list.h, libBASS/parse_interface.h,
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+        libBASS/parse_tree.c, libmdtools/SimInfo.hpp: Added zConstraint
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+        into the BASS language syntax.
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+-08-11 13:29  mmeineke
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+        * libmdtools/: SimInfo.cpp, SimInfo.hpp: changed the number of
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+        degrees of freedom to account for zConstreints
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+-08-08 16:22  chuckv
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+        * libmdtools/EAM_FF.cpp, libmdtools/calc_eam.F90,
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+        libmdtools/do_Forces.F90, libmdtools/neighborLists.F90,
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+        samples/metals/Au.bass: EAM works...... Neighbor list also
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+        works.....
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+-08-08 13:32  mmeineke
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+        * props/: frameCount.c, frameCount.h, props.cpp, staticProps.cpp:
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+        moved frameCount's functionality into DumpReader. also split props
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+        into staticProps and dynamicProps. (currently only have
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+        staticProps)
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+-08-08 12:48  mmeineke
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+        * libmdtools/: Makefile, ZConstraint.cpp:  fixed a deprcated
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+        instance of Atom::setZ and Atom::getZ in ZConstaint.
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+-08-07 16:47  mmeineke
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+        * libmdtools/: Atom.cpp, Atom.hpp, Bend.cpp, Bond.cpp,
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+        DirectionalAtom.cpp, DumpWriter.cpp, ForceFields.cpp,
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+        GhostBend.cpp, InitializeFromFile.cpp, Makefile, SimInfo.cpp,
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+        SimInfo.hpp, SimSetup.cpp, SimSetup.hpp, SimState.cpp,
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+        SimState.hpp, Torsion.cpp: switched SimInfo to use a system
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+        configuration from SimState rather than arrays from Atom
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+-08-06 19:47  chuckv
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+        * libmdtools/Atom.hpp, libmdtools/EAM_FF.cpp,
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+        libmdtools/SimInfo.cpp, libmdtools/calc_eam.F90,
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+        libmdtools/do_Forces.F90, libmdtools/notifyCutoffs.F90,
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+        samples/metals/Au.bass: Bug fixes for eam...
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+-08-01 11:18  tim
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+        * libmdtools/: SimSetup.cpp, ZConstraint.cpp: stable version of
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+        Z-Constraint
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+-07-31 14:59  tim
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+        * ChangeLog, libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp,
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+        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp,
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+        libmdtools/ZConstraint.cpp: add index range checking into
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+        ZConstraint
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+-07-31 10:38  tim
+        * libBASS/: Globals.cpp, Globals.hpp: added z-constraint parameters
+-07-30 16:17  chuckv
-<
+        * libmdtools/: EAM_FF.cpp, ForceFields.hpp, ReadWrite.hpp,
-<
+        calc_eam.F90, do_Forces.F90, wrappers.F90: More bug fixes for eam.
->
+        * libmdtools/EAM_FF.cpp, libmdtools/ForceFields.hpp,
->
+        libmdtools/ReadWrite.hpp, libmdtools/calc_eam.F90,
->
+        libmdtools/do_Forces.F90, libmdtools/wrappers.F90,
->
+        samples/metals/Au.bass: More bug fixes for eam.
+-07-29 11:32  mmeineke
+        * libmdtools/DumpReader.cpp, libmdtools/ReadWrite.hpp,
-<
+        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp, src/Makefile:
-<
+        working on the props code
->
+        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp,
->
+        props/frameCount.c, props/frameCount.h, props/props.cpp,
->
+        src/Makefile: working on the props code
+-07-29 11:32  mmeineke
+        * libBASS/Globals.cpp: [no log message]
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+-07-25 15:05  chuckv
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+        * samples/metals/: Au.bass, metals.mdl: Added bass models for
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+        metals
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+-07-25 15:00  chuckv
+        * libmdtools/: Makefile, SimSetup.cpp, calc_eam.F90,

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Comparing trunk/OOPSE/ChangeLog (file contents): Revision 660 by tim, Thu Jul 31 19:59:34 2003 UTC vs. Revision 727 by tim, Wed Aug 27 16:16:01 2003 UTC

Diff Legend

Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 660 by tim, Thu Jul 31 19:59:34 2003 UTC vs.
Revision 727 by tim, Wed Aug 27 16:16:01 2003 UTC