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root/group/trunk/OOPSE/libmdtools/NPT.cpp
Revision 1268 - (view) (annotate) - [select for diffs]
Modified Fri Jun 11 17:16:21 2004 UTC (20 years, 11 months ago) by tim
File length: 8473 byte(s)
Diff to previous 1253 , to selected 778 
roll in progress
Revision 1253 - (view) (annotate) - [select for diffs]
Modified Tue Jun 8 16:49:46 2004 UTC (20 years, 11 months ago) by gezelter
File length: 8453 byte(s)
Diff to previous 1234 , to selected 778 
Fixed a bug in NPTf (vScale was declared in the cpp file in addition
to the declaration in Integrator.hpp file)
Revision 1234 - (view) (annotate) - [select for diffs]
Modified Fri Jun 4 03:15:31 2004 UTC (20 years, 11 months ago) by tim
File length: 8367 byte(s)
Diff to previous 1129 , to selected 778 
new rattle algorithm is working
Revision 1129 - (view) (annotate) - [select for diffs]
Modified Thu Apr 22 03:29:30 2004 UTC (21 years ago) by tim
File length: 8415 byte(s)
Diff to previous 1097 , to selected 778 
fixed two bugs in MPI version of InitfromFile and one unmatch MPI command in DumpWriter
Revision 1097 - (view) (annotate) - [select for diffs]
Modified Mon Apr 12 20:32:20 2004 UTC (21 years, 1 month ago) by gezelter
File length: 8534 byte(s)
Diff to previous 857 , to selected 778 
Changes for RigidBody dynamics (Somewhat extensive)
Revision 857 - (view) (annotate) - [select for diffs]
Modified Fri Nov 7 17:09:48 2003 UTC (21 years, 6 months ago) by mmeineke
File length: 8249 byte(s)
Diff to previous 837 , to selected 778 
moved the velocity scale matrix calculation outside of the atom loop in the NPT family of integrators.
Revision 837 - (view) (annotate) - [select for diffs]
Modified Wed Oct 29 00:19:10 2003 UTC (21 years, 6 months ago) by tim
File length: 8200 byte(s)
Diff to previous 829 , to selected 778 
add chi and eta to the comment line of dump file.
Revision 829 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:03:37 2003 UTC (21 years, 6 months ago) by gezelter
File length: 7796 byte(s)
Diff to previous 780 , to selected 778 
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
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: 7795 byte(s)
Diff to previous 778 
Converted NPTf to work with the NPT base class.

Removed NPTfm and NPTim from cvs
Revision 778 - (view) (annotate) - [selected]
Added Fri Sep 19 20:00:27 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 7719 byte(s) 
added NPT base class. NPTi is up to date. NPTf is not.

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