[ViewVC] Log of: group/trunk/OOPSE/libmdtools/Make.dep

Revision 1199 - (view) (annotate) - [select for diffs]
Modified Thu May 27 15:21:20 2004 UTC (20 years, 1 month ago) by gezelter
File length: 49839 byte(s)
Diff to previous 1158

Fixed off-by-one error in groupStartRow and groupStartCol

Revision 1158 - (view) (annotate) - [select for diffs]
Modified Tue May 11 21:14:26 2004 UTC (20 years, 1 month 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, 1 month 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 (20 years, 2 months 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 (20 years, 2 months 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 (20 years, 2 months 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 (20 years, 5 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 (20 years, 5 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 (20 years, 5 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 (20 years, 7 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 (20 years, 9 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 (20 years, 9 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 (20 years, 9 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 (20 years, 9 months ago) by gezelter
File length: 16809 byte(s)

Changes to autoconf / configure method of configuring OOPSE

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