[ViewVC] Log of: group/trunk/OOPSE-4/src/restraints/ThermoIntegrationForceManager.cpp

Revision 2991 - (view) (annotate) - [select for diffs]
Modified Thu Aug 31 22:34:49 2006 UTC (18 years ago) by chrisfen
File length: 7292 byte(s)
Diff to previous 2990

fixes to zang writing

Revision 2990 - (view) (annotate) - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years ago) by chrisfen
File length: 7274 byte(s)
Diff to previous 2917

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 2917 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years, 2 months ago) by chrisfen
File length: 5843 byte(s)
Diff to previous 2879

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

Revision 2879 - (view) (annotate) - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (18 years, 2 months ago) by chrisfen
File length: 5826 byte(s)
Diff to previous 2868

MPI thermodynamic integration works now.

Revision 2868 - (view) (annotate) - [select for diffs]
Modified Mon Jun 19 01:36:06 2006 UTC (18 years, 2 months ago) by chrisfen
File length: 6057 byte(s)
Diff to previous 2364

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

Revision 2364 - (view) (annotate) - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (18 years, 10 months ago) by tim
File length: 5824 byte(s)
Diff to previous 2204

rewrite Globals

Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (19 years, 4 months ago) by gezelter
File length: 5760 byte(s)
Diff to previous 2121

xemacs has been drafted to perform our indentation services

Revision 2121 - (view) (annotate) - [select for diffs]
Modified Sat Mar 12 19:05:16 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 5885 byte(s)
Diff to previous 2115

added some samples

Revision 2115 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 5989 byte(s)
Diff to previous 2107

fixed a bug in MPI restraints

Revision 2107 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 19:11:02 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 5885 byte(s)
Diff to previous 2104

Oops...  MPI now builds...

Revision 2104 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 16:27:16 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 5735 byte(s)
Diff to previous 2103

fixes to restraints

Revision 2103 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 16:15:13 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 5748 byte(s)
Diff to previous 2101

fixing restraints

Revision 2101 - (view) (annotate) - [select for diffs]
Added Thu Mar 10 15:10:24 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 5697 byte(s)

First commit of the new restraints code

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