[ViewVC] Log of: OpenMD/trunk/src/restraints/ThermoIntegrationForceManager.cpp

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 998

fixes to zang writing

Revision 1028 - (view) (annotate) - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years, 8 months ago) by chrisfen
File length: 7274 byte(s)
Diff to previous 998

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 998 - (view) (annotate) - [selected]
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

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

Revision 993 - (view) (annotate) - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 5826 byte(s)
Diff to previous 990 , to selected 998

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 998

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

Revision 665 - (view) (annotate) - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (19 years, 6 months ago) by tim
File length: 5824 byte(s)
Diff to previous 507 , to selected 998

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 998

xemacs has been drafted to perform our indentation services

Revision 437 - (view) (annotate) - [select for diffs]
Modified Sat Mar 12 19:05:16 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 5885 byte(s)
Diff to previous 431 , to selected 998

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 998

fixed a bug in MPI restraints

Revision 423 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 19:11:02 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 5885 byte(s)
Diff to previous 420 , to selected 998

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 998

fixes to restraints

Revision 419 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 16:15:13 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 5748 byte(s)
Diff to previous 417 , to selected 998

fixing restraints

Revision 417 - (view) (annotate) - [select for diffs]
Added Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 5697 byte(s)
Diff to selected 998

First commit of the new restraints code

Convenience Links

Links to HEAD: (view) (annotate)

Compare Revisions

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

	Diffs between and
	Type of Diff should be a