Revision 3444 - Directory Listing - [select for diffs]
Modified Wed Sep 10 19:40:06 2008 UTC (15 years, 10 months ago) by cli2
Diff to previous 3146

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

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 (17 years, 2 months ago) by chrisfen
Diff to previous 3046

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

fixed a few bugs

Revision 3035 - Directory Listing - [select for diffs]
Modified Mon Oct 9 22:16:44 2006 UTC (17 years, 9 months ago) by gezelter
Diff to previous 2990

Fixing the builders to prepare for OOPSE-4 release

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 (17 years, 10 months ago) by tim
Diff to previous 2723

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.

splined up sticky

Revision 2717 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (18 years, 3 months ago) by gezelter
Diff to previous 2715

Many performance improvements

added a cubic spline to switcheroo

Revision 2489 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (18 years, 7 months ago) by tim
Diff to previous 2435

remove deprecated keywords from samples

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 (18 years, 8 months ago) by chrisfen
Diff to previous 2293

playing with switching functions

Equilibrated the sample

Revision 2283 - Directory Listing - [select for diffs]
Modified Wed Sep 7 19:18:44 2005 UTC (18 years, 10 months ago) by gezelter
Diff to previous 1548

Just a longer test

remove argon.dump and argon.eor from Makefile

Revision 1547 - Directory Listing - [select for diffs]
Modified Sat Oct 9 06:01:55 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1543

Remove some Makefile.in

add Makefile to sample directory

Revision 1490 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (19 years, 9 months ago) by gezelter

Import of OOPSE v. 2.0