Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 8 months ago) by chuckv
File length: 16487 byte(s)
Diff to previous 1623

Adding experimental branch for calculation of the heatflux based on old version of OpenMD.
This will need to be ported to the development branch later.

Adding Repulsive Power potential

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 10 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 (17 years, 3 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 (17 years, 4 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 (17 years, 4 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 (17 years, 4 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 (17 years, 4 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 (17 years, 4 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, 7 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 (18 years, 3 months ago) by chuckv
Original Path: trunk/forceFields/MnM.frc
File length: 7977 byte(s)

Added MnM forcefield.