Revision 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (17 years, 2 months ago) by cli2
File length: 9004 byte(s)
Diff to previous 1153 , to selected 246

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, 5 months ago) by gezelter
File length: 8823 byte(s)
Diff to previous 998 , to selected 246

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 681 - (view) (annotate) - [select for diffs]
Modified Mon Oct 17 23:13:44 2005 UTC (19 years, 10 months ago) by tim
File length: 7062 byte(s)
Diff to previous 555 , to selected 246

Customized StatWriter is working

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

Revision 541 - (view) (annotate) - [select for diffs]
Modified Sun May 22 21:05:15 2005 UTC (20 years, 3 months ago) by tim
File length: 4822 byte(s)
Diff to previous 507 , to selected 246

adding keyword printPressureTensor

xemacs has been drafted to perform our indentation services

Revision 246 - (view) (annotate) - [selected]
Added Wed Jan 12 22:41:40 2005 UTC (20 years, 7 months ago) by gezelter
File length: 4460 byte(s)

merging new_design branch into OOPSE-2.0