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

Revision 3450 - Directory Listing - [select for diffs]
Modified Sun Sep 14 01:32:26 2008 UTC (15 years, 9 months ago) by chuckv
Diff to previous 3412

Added large quantities of code for convex hull and constant pressure langevin dynamics.

Revision 3412 - Directory Listing - [select for diffs]
Modified Wed Jun 11 16:49:56 2008 UTC (16 years ago) by chuckv
Diff to previous 3409

Code work on thiols and TraPPE torsions.

Revision 3409 - Directory Listing - [select for diffs]
Modified Fri Jun 6 15:55:54 2008 UTC (16 years, 1 month ago) by chuckv
Diff to previous 3408

Removed accidental print lines.

Revision 3408 - Directory Listing - [select for diffs]
Modified Thu Jun 5 15:54:47 2008 UTC (16 years, 1 month ago) by chuckv
Diff to previous 3406

Added model for thiols.

Revision 3406 - Directory Listing - [select for diffs]
Modified Wed Jun 4 15:38:15 2008 UTC (16 years, 1 month ago) by chuckv
Diff to previous 3392

Added minimizer sample for metal.

Revision 3392 - Directory Listing - [select for diffs]
Modified Wed May 14 14:31:48 2008 UTC (16 years, 1 month ago) by chuckv
Diff to previous 3382

Changes....

Revision 3382 - Directory Listing - [select for diffs]
Modified Sat Apr 12 19:59:07 2008 UTC (16 years, 2 months ago) by chuckv
Diff to previous 3381

Added surfaces for Ni and Pd.

Revision 3381 - Directory Listing - [select for diffs]
Modified Sat Apr 12 19:35:25 2008 UTC (16 years, 2 months ago) by chuckv
Diff to previous 3378

Added more surfaces.

Revision 3378 - Directory Listing - [select for diffs]
Modified Thu Mar 27 20:58:37 2008 UTC (16 years, 3 months ago) by chuckv
Diff to previous 3146

Added samples for metal slabs.

Revision 3146 - Directory Listing - [select for diffs]
Modified Sat Jun 2 20:53:20 2007 UTC (17 years, 1 month ago) by chuckv
Diff to previous 2990

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

Revision 2990 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (17 years, 10 months ago) by chrisfen
Diff to previous 2722

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 2722 - Directory Listing - [select for diffs]
Modified Thu Apr 20 18:24:24 2006 UTC (18 years, 2 months ago) by gezelter
Diff to previous 2717

Complete rewrite of spline code and everything that uses it.

Revision 2717 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (18 years, 2 months ago) by gezelter
Diff to previous 2561

Many performance improvements

Revision 2561 - Directory Listing - [select for diffs]
Modified Fri Jan 13 00:09:34 2006 UTC (18 years, 5 months ago) by chuckv
Diff to previous 2551

Changes in Sutton-Chen units

Revision 2551 - Directory Listing - [select for diffs]
Modified Thu Jan 12 16:04:02 2006 UTC (18 years, 5 months ago) by tim
Diff to previous 2541

fix make install problem for metals samples

Revision 2541 - Directory Listing - [select for diffs]
Modified Tue Jan 10 21:14:32 2006 UTC (18 years, 5 months ago) by chuckv
Diff to previous 2538

Sutton and Chen should be working now.

Revision 2538 - Directory Listing - [select for diffs]
Modified Mon Jan 9 19:26:27 2006 UTC (18 years, 5 months ago) by chuckv
Diff to previous 2533

Added energy scaling to section parsers.

Revision 2533 - Directory Listing - [select for diffs]
Modified Fri Dec 30 23:15:59 2005 UTC (18 years, 6 months ago) by chuckv
Diff to previous 2530

More Sutton-Chen bug fixes.

Revision 2530 - Directory Listing - [select for diffs]
Modified Fri Dec 30 00:18:28 2005 UTC (18 years, 6 months ago) by chuckv
Diff to previous 2528

Sutton-Chen bug fixes. Almost there...

Revision 2528 - Directory Listing - [select for diffs]
Modified Thu Dec 29 20:07:13 2005 UTC (18 years, 6 months ago) by chuckv
Diff to previous 2527

added files for sutton-chen

Revision 2527 - Directory Listing - [select for diffs]
Modified Thu Dec 29 16:37:09 2005 UTC (18 years, 6 months ago) by chuckv
Diff to previous 2526

More cvs changing.

Revision 2526 - Directory Listing - [select for diffs]
Modified Thu Dec 29 16:34:48 2005 UTC (18 years, 6 months ago) by chuckv
Diff to previous 2525

More moving...

Revision 2525 - Directory Listing - [select for diffs]
Modified Thu Dec 29 16:33:41 2005 UTC (18 years, 6 months ago) by chuckv
Diff to previous 2524

More changes to directory structure.

Revision 2524 - Directory Listing - [select for diffs]
Modified Thu Dec 29 16:21:37 2005 UTC (18 years, 6 months ago) by chuckv
Diff to previous 2523

More Directory changes...

Revision 2523 - Directory Listing - [select for diffs]
Modified Thu Dec 29 16:17:40 2005 UTC (18 years, 6 months ago) by chuckv
Diff to previous 2489

More changing of directory structure

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 1547

remove deprecated keywords from samples

Revision 1547 - Directory Listing - [select for diffs]
Modified Sat Oct 9 06:01:55 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1543

Remove some Makefile.in

Revision 1543 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:04:25 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1490

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

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