[ViewVC] Log of: group/trunk/OOPSE-4/samples/argon

Revision 3444 - Directory Listing - [select for diffs]
Modified Wed Sep 10 19:40:06 2008 UTC (17 years, 8 months ago) by cli2
Diff to previous 3146

Fixes for Torsions and Inversions, Amber is mostly working now.

Revision 3146 - Directory Listing - [selected]
Modified Sat Jun 2 20:53:20 2007 UTC (18 years, 11 months ago) by chuckv
Diff to previous 3131

Fixed Makefile problems with the samples and added several missing makefiles.

Revision 3131 - Directory Listing - [select for diffs]
Modified Wed May 2 00:18:08 2007 UTC (19 years ago) by chrisfen
Diff to previous 3046 , to selected 3146

fixed a bug where the pressure tensor wouldn't update for atoms in the switching region when # of atoms in a group = 1

Revision 3046 - Directory Listing - [select for diffs]
Modified Sat Oct 14 20:21:26 2006 UTC (19 years, 7 months ago) by gezelter
Diff to previous 3035 , to selected 3146

fixed a few bugs

Revision 3035 - Directory Listing - [select for diffs]
Modified Mon Oct 9 22:16:44 2006 UTC (19 years, 7 months ago) by gezelter
Diff to previous 2990 , to selected 3146

Fixing the builders to prepare for OOPSE-4 release

Revision 2990 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 2982 , to selected 3146

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 2982 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2723 , to selected 3146

Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.

Revision 2723 - Directory Listing - [select for diffs]
Modified Thu Apr 20 21:02:00 2006 UTC (20 years ago) by chrisfen
Diff to previous 2717 , to selected 3146

splined up sticky

Revision 2717 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (20 years, 1 month ago) by gezelter
Diff to previous 2715 , to selected 3146

Many performance improvements

Revision 2715 - Directory Listing - [select for diffs]
Modified Sun Apr 16 02:51:16 2006 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 2489 , to selected 3146

added a cubic spline to switcheroo

Revision 2489 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 2435 , to selected 3146

remove deprecated keywords from samples

Revision 2435 - Directory Listing - [select for diffs]
Modified Tue Nov 15 16:37:51 2005 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 2422 , to selected 3146

just playing around - we need to refresh all the samples sometime soon...

Revision 2422 - Directory Listing - [select for diffs]
Modified Fri Nov 11 15:21:05 2005 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 2293 , to selected 3146

playing with switching functions

Revision 2293 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:11:18 2005 UTC (20 years, 8 months ago) by chrisfen
Diff to previous 2283 , to selected 3146

Equilibrated the sample

Revision 2283 - Directory Listing - [select for diffs]
Modified Wed Sep 7 19:18:44 2005 UTC (20 years, 8 months ago) by gezelter
Diff to previous 1548 , to selected 3146

Just a longer test

Revision 1548 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:14 2004 UTC (21 years, 7 months ago) by tim
Diff to previous 1547 , to selected 3146

remove argon.dump and argon.eor from Makefile

Revision 1547 - Directory Listing - [select for diffs]
Modified Sat Oct 9 06:01:55 2004 UTC (21 years, 7 months ago) by tim
Diff to previous 1543 , to selected 3146

Remove some Makefile.in

Revision 1543 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:04:25 2004 UTC (21 years, 7 months ago) by tim
Diff to previous 1490 , to selected 3146

add Makefile to sample directory

Revision 1490 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 7 months ago) by gezelter
Diff to selected 3146

Import of OOPSE v. 2.0

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