MERGE OpenMD development 1783:1878 into trunk

Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (13 years, 5 months ago) by gezelter
File length: 5376 byte(s)
Diff to previous 1442

MERGE OpenMD development branch 1465:1781 into trunk

Adding property set to svn entries

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (16 years, 2 months ago) by gezelter
File length: 6374 byte(s)
Diff to previous 1306

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Returned old LD forces to SMIPDForceManager.

Revision 1293 - (view) (annotate) - [select for diffs]
Modified Sun Sep 14 01:32:26 2008 UTC (17 years, 4 months ago) by chuckv
File length: 6311 byte(s)
Diff to previous 1282

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

Many fixes

Revision 1269 - (view) (annotate) - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (17 years, 7 months ago) by gezelter
File length: 6076 byte(s)
Diff to previous 1170

Adding infrastructure for Amber force field.

removed MWM as an atom type property

Revision 1155 - (view) (annotate) - [select for diffs]
Modified Mon Jul 9 21:11:20 2007 UTC (18 years, 6 months ago) by chuckv
File length: 6663 byte(s)
Diff to previous 1149

Changes for Non-Bonded interactions.

Adding support for non-bonded interactions to OOPSE.

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 8 months ago) by tim
File length: 6680 byte(s)
Diff to previous 728

Adding single precision capabilities to c++ side

Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen.

Revision 523 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years, 8 months ago) by chrisfen
File length: 6228 byte(s)
Diff to previous 507

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

xemacs has been drafted to perform our indentation services

Revision 410 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 14:26:15 2005 UTC (20 years, 10 months ago) by gezelter
File length: 7187 byte(s)
Diff to previous 378

added splitDipole and fixed quadrupole stuff

adding soft potential to LJ Module

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (21 years ago) by gezelter
File length: 7073 byte(s)
Diff to previous 159

merging new_design branch into OOPSE-2.0

Making ShapeType into a ShapeAtomType, fixing some isXXX

Revision 144 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:15 2004 UTC (21 years, 3 months ago) by chrisfen
File length: 1655 byte(s)
Diff to previous 141

strDUP not strCOPY

fixey fixey

Revision 139 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 20:21:36 2004 UTC (21 years, 3 months ago) by gezelter
File length: 1652 byte(s)
Diff to previous 138

More on AtomType and DirectionalAtomType

Adding AtomType