Revision 1775 - (view) (annotate) - [select for diffs]
Modified Wed Aug 8 18:45:52 2012 UTC (12 years, 9 months ago) by gezelter
File length: 16288 byte(s)
Diff to previous 1625

Tracking down a strange bug report.   Fixing some output. Fixing some samples.

Adding RepulsivePower interaction to development branch.

Revision 1544 - (view) (annotate) - [select for diffs]
Modified Fri Mar 18 19:31:52 2011 UTC (14 years, 1 month ago) by gezelter
File length: 16155 byte(s)
Diff to previous 1465

More modifications for paralllel rewrite

Creating busticated version of OpenMD

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/forceFields/MnM.frc
File length: 16358 byte(s)
Diff to previous 1279

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

All Your Base are belong to us!

Revision 1276 - (view) (annotate) - [select for diffs]
Modified Mon Jul 7 19:10:55 2008 UTC (16 years, 10 months ago) by chuckv
Original Path: trunk/forceFields/MnM.frc
File length: 16318 byte(s)
Diff to previous 1273

Changed parameters for S-S interactions on gold surface.

Changes to thiol model.

Revision 1259 - (view) (annotate) - [select for diffs]
Modified Mon Jun 16 19:53:53 2008 UTC (16 years, 10 months ago) by chuckv
Original Path: trunk/forceFields/MnM.frc
File length: 15821 byte(s)
Diff to previous 1258

Added TraPPE torsions for thiols.

Adding Trappe torsion types and fixing Opls types

Revision 1257 - (view) (annotate) - [select for diffs]
Modified Wed Jun 11 16:49:56 2008 UTC (16 years, 11 months ago) by chuckv
Original Path: trunk/forceFields/MnM.frc
File length: 13445 byte(s)
Diff to previous 1256

Code work on thiols and TraPPE torsions.

*** empty log message ***

Revision 1255 - (view) (annotate) - [select for diffs]
Modified Mon Jun 9 15:10:56 2008 UTC (16 years, 11 months ago) by chuckv
Original Path: trunk/forceFields/MnM.frc
File length: 9252 byte(s)
Diff to previous 1254

Changes.

Removed accidental print lines.

Revision 1252 - (view) (annotate) - [select for diffs]
Modified Thu Jun 5 15:53:59 2008 UTC (16 years, 11 months ago) by chuckv
Original Path: trunk/forceFields/MnM.frc
File length: 9086 byte(s)
Diff to previous 1250

Fixed typo in LJinteraction types. LJ-metal appears to work now.

Added parameters for Lennard-Jones Thiol potential.

Revision 1245 - (view) (annotate) - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (16 years, 11 months ago) by chuckv
Original Path: trunk/forceFields/MnM.frc
File length: 8811 byte(s)
Diff to previous 1242

Checking in changes for Hefland moment calculations

Changes....

Revision 1229 - (view) (annotate) - [select for diffs]
Modified Mon Mar 3 17:14:37 2008 UTC (17 years, 2 months ago) by chuckv
Original Path: trunk/forceFields/MnM.frc
File length: 8652 byte(s)
Diff to previous 1159

Changes to MAW. New form of the potential and cleanup.

Added metal-non-metal section

Revision 1154 - (view) (annotate) - [select for diffs]
Added Mon Jul 9 21:05:41 2007 UTC (17 years, 10 months ago) by chuckv
Original Path: trunk/forceFields/MnM.frc
File length: 7977 byte(s)

Added MnM forcefield.