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root/group/trunk/OOPSE/libmdtools/Molecule.cpp
Revision 610 - (view) (annotate) - [select for diffs]
Modified Tue Jul 15 15:50:55 2003 UTC (21 years, 9 months ago) by gezelter
File length: 3269 byte(s)
Diff to previous 607 , to selected 426 
more archaic code fixes
Revision 607 - (view) (annotate) - [select for diffs]
Modified Tue Jul 15 14:28:54 2003 UTC (21 years, 9 months ago) by gezelter
File length: 3347 byte(s)
Diff to previous 490 , to selected 426 
removing get_vx
Revision 490 - (view) (annotate) - [select for diffs]
Modified Fri Apr 11 15:16:59 2003 UTC (22 years ago) by gezelter
File length: 3402 byte(s)
Diff to previous 489 , to selected 426 
Bug fix in progress for NPT
Revision 489 - (view) (annotate) - [select for diffs]
Modified Thu Apr 10 20:08:56 2003 UTC (22 years ago) by mmeineke
File length: 3625 byte(s)
Diff to previous 483 , to selected 426 
 added a globalIndex counter to Molecule
Revision 483 - (view) (annotate) - [select for diffs]
Modified Wed Apr 9 04:06:43 2003 UTC (22 years ago) by gezelter
File length: 3627 byte(s)
Diff to previous 475 , to selected 426 
fixes for NPT and NVT
Revision 475 - (view) (annotate) - [select for diffs]
Modified Tue Apr 8 12:44:18 2003 UTC (22 years, 1 month ago) by gezelter
File length: 3408 byte(s)
Diff to previous 468 , to selected 426 
Changes to integrate the NVT and NPT ensembles
Revision 468 - (view) (annotate) - [select for diffs]
Modified Mon Apr 7 16:56:38 2003 UTC (22 years, 1 month ago) by gezelter
File length: 3397 byte(s)
Diff to previous 450 , to selected 426 
Many fixes to add extended system
Revision 450 - (view) (annotate) - [select for diffs]
Modified Thu Apr 3 21:12:51 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 2887 byte(s)
Diff to previous 449 , to selected 426 
just little things like deleteing unused variables and such.
Revision 449 - (view) (annotate) - [select for diffs]
Modified Thu Apr 3 20:57:56 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 2901 byte(s)
Diff to previous 446 , to selected 426 
a few fixes to simError.h
also some fixes to Molecule.hpp
Revision 446 - (view) (annotate) - [select for diffs]
Modified Thu Apr 3 20:19:50 2003 UTC (22 years, 1 month ago) by gezelter
File length: 2887 byte(s)
Diff to previous 438 , to selected 426 
Starting work on NPT
Revision 438 - (view) (annotate) - [select for diffs]
Modified Mon Mar 31 21:50:59 2003 UTC (22 years, 1 month ago) by chuckv
File length: 2083 byte(s)
Diff to previous 435 , to selected 426 
Fixes in MPI force calc and in Trappe_Ex parsing.
Revision 435 - (view) (annotate) - [select for diffs]
Modified Fri Mar 28 19:33:37 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 2061 byte(s)
Diff to previous 428 , to selected 426 
fixed a bug where the Excludes were not being created properly
Revision 428 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 21:07:14 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 1831 byte(s)
Diff to previous 427 , to selected 426 
fixed the compile time bugs, Source builds and links
Revision 427 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 20:48:37 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 1830 byte(s)
Diff to previous 426 
fixed a few more bugs.
Revision 426 - (view) (annotate) - [selected]
Added Thu Mar 27 20:40:01 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 1829 byte(s) 
added the Molecule.cpp file

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