Revision 1029 - (view) (annotate) - [select for diffs]
Modified Thu Aug 31 22:34:49 2006 UTC (18 years, 8 months ago) by chrisfen
File length: 7292 byte(s)
Diff to previous 1028 , to selected 417

fixes to zang writing

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

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: 5843 byte(s)
Diff to previous 993 , to selected 417

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

MPI thermodynamic integration works now.

Revision 990 - (view) (annotate) - [select for diffs]
Modified Mon Jun 19 01:36:06 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 6057 byte(s)
Diff to previous 665 , to selected 417

fixes for mpi thermodynamic integration, close to fully working...

rewrite Globals

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 5760 byte(s)
Diff to previous 437 , to selected 417

xemacs has been drafted to perform our indentation services

added some samples

Revision 431 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 5989 byte(s)
Diff to previous 423 , to selected 417

fixed a bug in MPI restraints

Oops...  MPI now builds...

Revision 420 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 16:27:16 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 5735 byte(s)
Diff to previous 419 , to selected 417

fixes to restraints

fixing restraints

Revision 417 - (view) (annotate) - [selected]
Added Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 5697 byte(s)

First commit of the new restraints code