[ViewVC] Diff of: group/trunk/OOPSE-2.0/ChangeLog

Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 2246 by chrisfen, Sun May 29 21:13:23 2005 UTC vs.
Revision 2310 by chrisfen, Mon Sep 19 23:21:46 2005 UTC

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+-09-18 15:45  chrisfen
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+        * ChangeLog, samples/water/ssdrf/ssdrf.md,
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+        src/UseTheForce/doForces.F90,
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+        src/UseTheForce/doForces_interface.F90,
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+        src/UseTheForce/doForces_interface.h,
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+        src/UseTheForce/DarkSide/electrostatic.F90,
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+        src/UseTheForce/DarkSide/electrostatic_interface.h,
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+        src/brains/SimInfo.cpp: reaction field seems to work now, still
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+        need to do some testing...
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+-09-16 18:04  chuckv
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+        * src/io/: Globals.cpp, Globals.hpp: Added keywords for compressed
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+        dump files.
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+-09-16 16:07  chrisfen
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+        * src/: UseTheForce/doForces_interface.F90,
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+        UseTheForce/doForces_interface.h, brains/SimInfo.cpp: xlf found a
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+        bug that ifc missed...
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+-09-16 15:36  chrisfen
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+        * src/UseTheForce/: doForces.F90, DarkSide/electrostatic.F90:
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+        fixing some summation method issues
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+-09-16 14:35  chrisfen
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+        * src/brains/SimInfo.cpp: fixed a capitalization error
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+-09-16 14:34  chrisfen
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+        * src/UseTheForce/: fElectrostaticSummationMethod.h,
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+        DarkSide/fElectrostaticSummationMethod.h: moved a header file
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+        around
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+-09-16 14:00  chrisfen
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+        * src/: UseTheForce/DarkSide/electrostatic_interface.F90,
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+        brains/SimInfo.cpp, brains/SimInfo.hpp: it builds now, but there
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+        are known issues - particularly with reaction field...
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+-09-16 11:07  chrisfen
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+        * src/: UseTheForce/DarkSide/electrostatic.F90, brains/SimInfo.cpp,
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+        io/Globals.cpp, io/Globals.hpp: some fixes but even more breaking
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+        (cutting out the old way to do reaction field)
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+-09-15 17:05  gezelter
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+        * src/UseTheForce/: doForces.F90, fCoulombicCorrection.h,
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+        fElectrostaticSummationMethod.h, DarkSide/electrostatic.F90,
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+        DarkSide/electrostatic_interface.F90,
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+        DarkSide/electrostatic_interface.h: Working on adding WOLF
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+-09-15 14:17  tim
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+        * src/io/DumpReader.cpp: Fix a bug in DumpReader in case readFrame
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+        is called without calling getNFrames
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+-09-15 08:47  chrisfen
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+        * src/UseTheForce/fCoulombicCorrection.h: forgot to add a header
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+-09-14 21:48  chuckv
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+        * src/UseTheForce/doForces.F90: Fixed bug where gtypeMaxCutoff was
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+        not initialized after creation. When maxval(gtypeMaxCutoff) was
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+        called, the largest random garbage value was returned from the
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+        array.
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+-09-14 19:14  chrisfen
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+        * src/: brains/SimInfo.cpp, brains/SimInfo.hpp, io/Globals.cpp,
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+        io/Globals.hpp: changes to include the coulombicCorrection selector
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+-09-14 19:13  chrisfen
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+        * src/UseTheForce/DarkSide/: Makefile, electrostatic.F90,
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+        reactionField.F90: added in the undamped wolf, in the process of
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+        doing the damped wolf
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+-09-14 19:13  chrisfen
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+        * src/UseTheForce/: doForces.F90, doForces_interface.F90,
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+        doForces_interface.h, notifyCutoffs.F90: some changes to activate
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+        the coulombicCorrection selector
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+-09-14 19:11  chrisfen
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+        * samples/water/dimer/: cl.in, cl.md, water.md: just some testing
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+-09-14 19:11  chrisfen
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+        * samples/argon/: 500.in, 500.md: Equilibrated the sample
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+-09-14 19:10  chrisfen
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+        * forceFields/DUFF2.frc: re-added Cl- and Na+
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+-09-14 15:31  chuckv
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+        * src/UseTheForce/DarkSide/eam.F90: EAM now uses eamlist to lookup
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+        eamAtypes instead of assuming a 1-1 correspondence to atypes.
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+-09-14 15:28  gezelter
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+        * src/UseTheForce/doForces.F90: fix to put back calculation of r in
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+        do_prepair
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+-09-14 14:02  gezelter
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+        * src/UseTheForce/DarkSide/LJ.F90: fixed a bug in the
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+        createMixingMap routine.  It should now set doShift correctly
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+-09-07 17:44  chuckv
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+        * src/UseTheForce/doForces.F90: Added nGroupsInRow for mpi build.
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+-09-07 17:23  chuckv
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+        * src/UseTheForce/DarkSide/simParallel.F90: Added access to mpi
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+        logical variables
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+-09-07 17:08  gezelter
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+        * src/UseTheForce/doForces.F90: bugfix on the grouptype finding
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+        algorithm
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+-09-07 15:46  gezelter
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+        * src/: UseTheForce/doForces.F90,
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+        UseTheForce/doForces_interface.F90, UseTheForce/notifyCutoffs.F90,
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+        UseTheForce/notifyCutoffs_interface.F90,
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+        UseTheForce/notifyCutoffs_interface.h, brains/SimInfo.cpp,
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+        io/Globals.cpp, io/Globals.hpp: adding c-side interface to change
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+        cutoff Policy
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+-09-07 14:18  gezelter
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+        * src/UseTheForce/doForces.F90: Some bug hunting
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+-09-07 14:18  gezelter
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+        * samples/argon/argonNVT.md: Just a longer test
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+-09-06 12:32  chuckv
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+        * src/UseTheForce/doForces.F90: Added allocation for gtypeCutoffmap
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+        etc..
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+-09-01 17:56  gezelter
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+        * src/UseTheForce/doForces.F90: initialized atomTypeMaxCutoff(i) to
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+        zero
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+-09-01 15:17  gezelter
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+        * src/UseTheForce/: doForces.F90, doForces_interface.F90: wrote
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+        createGtypeCutoffMap
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+-08-30 13:23  chrisfen
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+        * src/: UseTheForce/doForces.F90,
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+        UseTheForce/doForces_interface.F90,
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+        UseTheForce/doForces_interface.h,
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+        UseTheForce/DarkSide/electrostatic.F90,
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+        UseTheForce/DarkSide/gb.F90, brains/SimInfo.cpp,
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+        brains/fSimulation.h, io/Globals.cpp, io/Globals.hpp: made some
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+        changes for implementing the wolf potential
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+-08-26 17:39  chrisfen
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+        * src/UseTheForce/DarkSide/eam.F90: updated getEAMCut
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+-08-26 16:30  chrisfen
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+        * src/UseTheForce/: doForces.F90, DarkSide/eam.F90,
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+        DarkSide/gb.F90, DarkSide/shapes.F90, DarkSide/sticky.F90: added
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+        some probably nonfunctional get*cut routines
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+-08-26 15:34  chuckv
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+        * src/UseTheForce/DarkSide/eam.F90: Added eamType map to atid map.
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+-08-26 11:36  gezelter
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+        * src/UseTheForce/doForces.F90: fixing some of the problems in the
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+        interactionHash and gtypeCutoff routines
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+-08-17 10:26  gezelter
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+        * src/UseTheForce/: doForces.F90, fCutoffPolicy.h,
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+        DarkSide/simulation.F90: added fCutoffPolicy.h
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+-08-11 16:04  gezelter
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+        * src/UseTheForce/: doForces.F90, notifyCutoffs.F90: breakage in
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+        progress
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+-08-10 14:17  gezelter
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+        * src/primitives/StuntDouble.hpp: putting spaceballs back where
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+        they belong
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+-08-09 17:33  gezelter
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+        * src/UseTheForce/DarkSide/LJ.F90: Complete rewrite of Lennard
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+        Jones module
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+-08-09 17:33  gezelter
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+        * src/UseTheForce/doForces.F90: Breaky Breaky BREAKY breaky breaky
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+-08-09 14:40  chuckv
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+        * src/UseTheForce/doForces.F90: In process of re-write for group
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+        based cutoff....
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+-07-29 14:38  gezelter
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+        * src/UseTheForce/doForces.F90: fixes in progress
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+-07-29 12:34  tim
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+        * src/UseTheForce/doForces.F90: fix a bug which does not update
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+        me_i and me_j correctly
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+-07-28 17:12  chuckv
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+        * src/UseTheForce/: doForces.F90, notifyCutoffs.F90: Changed
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+        cutoffs... Segfaults nicely now...
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+-07-20 12:04  gezelter
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+        * configure, ac-tools/aclocal.m4: fixed ACX_MPI to ignore some text
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+        error messages from pathscale compiler
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+-07-13 11:48  tim
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+        * src/applications/staticProps/DensityPlot.cpp: std::bind2nd is in
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+        <functional>
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+-07-13 10:54  tim
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+        * src/: UseTheForce/fSwitchingFunction.h,
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+        UseTheForce/mpiComponentPlan.h,
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+        UseTheForce/DarkSide/fInteractionMap.h, brains/fSimulation.h,
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+        io/BASS_interface.h, io/BASS_parse.c, io/BASS_parse.h,
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+        io/BASSlex.l, io/BASSyacc.y, io/interface.c, io/make_nodes.c,
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+        io/mpiBASS.c, io/mpiBASS.h, io/node_list.h, io/parse_tree.c,
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+        io/parse_tree.h, math/MatVec3.c, utils/residentMem.c,
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+        utils/simError.c, utils/simError.h: replace c++ style comment in c
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+        files
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+-07-03 15:53  chuckv
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+        * src/: UseTheForce/doForces.F90, UseTheForce/notifyCutoffs.F90,
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+        UseTheForce/DarkSide/simulation.F90, utils/oopseMPI.F90: Added
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+        subroutine to set cuttoff for Interaction map and function in
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+        simulation.F90 to determine if a particular atype is present in a
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+        simulation.
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+-06-28 08:58  gezelter
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+        * src/UseTheForce/doForces.F90: [no log message]
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+-06-27 17:21  chuckv
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+        * src/UseTheForce/doForces.F90: More breaking and destruction of
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+        force code. Does not build at this point...
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+-06-27 16:01  gezelter
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+        * src/: UseTheForce/doForces.F90, UseTheForce/DarkSide/atype.F90,
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+        UseTheForce/DarkSide/fInteractionMap.h,
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+        UseTheForce/DarkSide/interactions.F90, utils/definitions.F90:
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+        Breaky breaky!
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+-06-20 11:03  gezelter
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+        * samples/water/ssd/ssd.md,
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+        src/applications/staticProps/DensityPlot.cpp: fixed a bug and ran a
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+        simulation
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+-06-13 13:25  tim
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+        * src/: applications/staticProps/DensityPlot.cpp,
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+        applications/staticProps/DensityPlot.hpp,
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+        applications/staticProps/SCDOrderParameter.cpp,
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+        applications/staticProps/StaticProps.cpp,
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+        io/AtomTypesSectionParser.cpp: working version of DensityPlot
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+-05-31 17:31  chuckv
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+        * src/: brains/SimInfo.cpp, integrators/Velocitizer.cpp: Changes to
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+        remove angular momentum.
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+-05-31 12:34  chuckv
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+        * src/applications/nanoRodBuilder/nanorodBuilder.cpp: Fixed bug in
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+        typo in nanorodBuilder.
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+-05-30 09:01  chuckv
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+        * src/: applications/nanoRodBuilder/nanorodBuilder.cpp,
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+        brains/SimInfo.cpp, brains/SimInfo.hpp, brains/Stats.cpp,
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+        brains/Stats.hpp, integrators/Velocitizer.cpp,
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+        integrators/Velocitizer.hpp: Added method to remove system angular
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+        momentum to velocitizer and added method to calculate system
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+        angular momentum to siminfo.
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+-05-29 16:16  chrisfen
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+        * src/UseTheForce/DarkSide/: electrostatic.F90, sticky.F90: Removed
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+        balance from the Darkside (files)
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+-05-29 16:15  chrisfen
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+        * src/UseTheForce/doForces.F90: Removed balance from doForces
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+-05-29 16:15  chrisfen
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+        * samples/water/tap/: tap.in, tap.md: Updated tap sample
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+-05-29 16:15  chrisfen
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+        * samples/water/dimer/: Makefile, tap.in, tap.md: Included a tap
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+        dimer for testing purposes
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+-05-29 16:14  chrisfen
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+        * forceFields/DUFF2.frc: Re-entered the TIP4P-Ew water model. It
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+        was apparently wiped earlier this month...
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+-05-29 16:13  chrisfen
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+        * ChangeLog: ran make cvslog
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+-05-28 19:16  tim
+        * src/visitors/: AtomNameVisitor.cpp, AtomNameVisitor.hpp: adding

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Comparing trunk/OOPSE-2.0/ChangeLog (file contents): Revision 2246 by chrisfen, Sun May 29 21:13:23 2005 UTC vs. Revision 2310 by chrisfen, Mon Sep 19 23:21:46 2005 UTC

Diff Legend

Comparing trunk/OOPSE-2.0/ChangeLog (file contents):
Revision 2246 by chrisfen, Sun May 29 21:13:23 2005 UTC vs.
Revision 2310 by chrisfen, Mon Sep 19 23:21:46 2005 UTC