Revision 483 - (view) (annotate) - [select for diffs]
Modified Wed Apr 9 04:06:43 2003 UTC (22 years, 1 month ago) by gezelter
File length: 3627 byte(s)
Diff to previous 475 , to selected 426

fixes for NPT and NVT

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

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

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.

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

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