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root/group/trunk/OOPSE/libmdtools/Make.dep
Revision 1158 - (view) (annotate) - [select for diffs]
Modified Tue May 11 21:14:26 2004 UTC (20 years, 11 months ago) by tim
File length: 47578 byte(s)
Diff to previous 1154 
fix two bugs in siminfo which cause infinite loop; fix anoter one in CutoffGroup which causes seg fault
Revision 1154 - (view) (annotate) - [select for diffs]
Modified Tue May 11 16:00:22 2004 UTC (20 years, 11 months ago) by gezelter
File length: 46582 byte(s)
Diff to previous 1119 
Fixes to libmdtools to use the simplified cutoff stuff in the BASS library
Revision 1119 - (view) (annotate) - [select for diffs]
Modified Mon Apr 19 17:44:48 2004 UTC (21 years ago) by tim
File length: 44200 byte(s)
Diff to previous 1108 
Dump2XYZ is almost working except atoms in rigidbody are double counted
Revision 1108 - (view) (annotate) - [select for diffs]
Modified Wed Apr 14 15:37:41 2004 UTC (21 years ago) by tim
File length: 37564 byte(s)
Diff to previous 1097 
Change DumpWriter and InitFromFile
Revision 1097 - (view) (annotate) - [select for diffs]
Modified Mon Apr 12 20:32:20 2004 UTC (21 years ago) by gezelter
File length: 38655 byte(s)
Diff to previous 998 
Changes for RigidBody dynamics (Somewhat extensive)
Revision 998 - (view) (annotate) - [select for diffs]
Modified Thu Jan 29 23:01:17 2004 UTC (21 years, 3 months ago) by gezelter
File length: 23775 byte(s)
Diff to previous 989 
member list fixes for rigid bodies
Revision 989 - (view) (annotate) - [select for diffs]
Modified Tue Jan 27 19:38:27 2004 UTC (21 years, 3 months ago) by gezelter
File length: 24905 byte(s)
Diff to previous 940 
More BASS changes to do new rigidBody scheme
a copy of WATER.cpp from this morning
Revision 940 - (view) (annotate) - [select for diffs]
Modified Tue Jan 13 22:34:55 2004 UTC (21 years, 3 months ago) by gezelter
File length: 23924 byte(s)
Diff to previous 855 
Some changes for new MPI organization and direct charge-charge interactions
Revision 855 - (view) (annotate) - [select for diffs]
Modified Thu Nov 6 22:01:37 2003 UTC (21 years, 6 months ago) by mmeineke
File length: 24991 byte(s)
Diff to previous 780 
added the following parameters to BASS:
   * useInitialExtendedSystemState
   * orthoBoxTolerance
   * useIntiTime => useInitialTime
Revision 780 - (view) (annotate) - [select for diffs]
Modified Mon Sep 22 21:23:25 2003 UTC (21 years, 7 months ago) by mmeineke
File length: 22438 byte(s)
Diff to previous 761 
Converted NPTf to work with the NPT base class.

Removed NPTfm and NPTim from cvs
Revision 761 - (view) (annotate) - [select for diffs]
Modified Fri Sep 12 16:20:16 2003 UTC (21 years, 7 months ago) by gezelter
File length: 24716 byte(s)
Diff to previous 750 
Added integrators to Makefile.in
Revision 750 - (view) (annotate) - [select for diffs]
Modified Fri Sep 5 22:45:42 2003 UTC (21 years, 8 months ago) by gezelter
File length: 16853 byte(s)
Diff to previous 747 
dependency on config.h
Revision 747 - (view) (annotate) - [select for diffs]
Added Fri Sep 5 21:28:52 2003 UTC (21 years, 8 months ago) by gezelter
File length: 16809 byte(s) 
Changes to autoconf / configure method of configuring OOPSE

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