Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File length: 4453 byte(s)
Diff to previous 1369

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

RNEMD temperature and exchange reporting

Revision 1328 - (view) (annotate) - [select for diffs]
Modified Fri Mar 13 20:26:32 2009 UTC (16 years, 1 month ago) by gezelter
File length: 4406 byte(s)
Diff to previous 1291

adding support for RNEMD

Added some logic to print out a special pair distance as a column in
the stat file.  To use this feature, use taggedAtomPair = "0, 10" and
printTaggedPairDistance = "true" in the md file.  Then, the distance
between integrableObjects 0 and 10 will be computed and printed in
the stat file on each statWrite.

Revision 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 10 months ago) by cli2
File length: 4348 byte(s)
Diff to previous 1153

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Changes for MnM forcefield.

Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years ago) by gezelter
File length: 4318 byte(s)
Diff to previous 998

Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...

Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
File length: 4101 byte(s)
Diff to previous 681

Adding single precision capabilities to c++ side

Customized StatWriter is working

Revision 555 - (view) (annotate) - [select for diffs]
Modified Mon May 30 14:01:52 2005 UTC (19 years, 11 months ago) by chuckv
File length: 3981 byte(s)
Diff to previous 541

Added method to remove system angular momentum to velocitizer and added method to calculate system angular momentum to siminfo.

adding keyword printPressureTensor

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 3904 byte(s)
Diff to previous 246

xemacs has been drafted to perform our indentation services

merging new_design branch into OOPSE-2.0