Revision 1291 - (view) (annotate) - [select for diffs]
Modified Thu Sep 11 19:40:59 2008 UTC (16 years, 7 months ago) by gezelter
File length: 9227 byte(s)
Diff to previous 1275

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.

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

Revision 1153 - (view) (annotate) - [select for diffs]
Modified Mon Jul 9 21:03:53 2007 UTC (17 years, 9 months ago) by chuckv
File length: 8999 byte(s)
Diff to previous 1126

Changes for MnM forcefield.

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...

Revision 998 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 7602 byte(s)
Diff to previous 681

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

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: 4816 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: 4462 byte(s)
Diff to previous 246

xemacs has been drafted to perform our indentation services

merging new_design branch into OOPSE-2.0