Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years, 7 months ago) by gezelter
File length: 8031 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 (19 years, 6 months ago) by tim
File length: 7676 byte(s)
Diff to previous 945

Adding single precision capabilities to c++ side

Adding spherical boundary conditions to LD integrator

Revision 833 - (view) (annotate) - [select for diffs]
Modified Fri Dec 30 21:25:56 2005 UTC (19 years, 10 months ago) by tim
File length: 7610 byte(s)
Diff to previous 541

Long range potential return from fortran is already accumulated, it should not be accumulated again;
nGroupTypesCol is not initialized; GroupMaxCutoffCol is not allocated;

adding keyword printPressureTensor

Revision 538 - (view) (annotate) - [select for diffs]
Modified Thu May 19 21:31:23 2005 UTC (20 years, 6 months ago) by tim
File length: 7321 byte(s)
Diff to previous 507

NPAT is working

xemacs has been drafted to perform our indentation services

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 10 months ago) by gezelter
File length: 7309 byte(s)
Diff to previous 3

merging new_design branch into OOPSE-2.0

change the #include in source files

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 2 months ago) by gezelter
File length: 9909 byte(s)

Import of OOPSE v. 2.0