[ViewVC] Log of: group/trunk/OOPSE/libmdtools/calc_charge

Revision 1198 - (view) (annotate) - [select for diffs]
Modified Thu May 27 00:48:12 2004 UTC (20 years, 1 month ago) by tim
File length: 3408 byte(s)
Diff to previous 1192

in the progress of fixing MPI version of cutoff group

Revision 1192 - (view) (annotate) - [select for diffs]
Modified Mon May 24 21:03:30 2004 UTC (20 years, 1 month ago) by gezelter
File length: 3393 byte(s)
Diff to previous 1160

Fixes for stress / pressure tensor by cutoff group

Revision 1160 - (view) (annotate) - [select for diffs]
Modified Tue May 11 21:31:15 2004 UTC (20 years, 2 months ago) by gezelter
File length: 4068 byte(s)
Diff to previous 1150

Fortran-side changes for group-based cutoffs

Revision 1150 - (view) (annotate) - [select for diffs]
Modified Fri May 7 21:35:05 2004 UTC (20 years, 2 months ago) by gezelter
File length: 5299 byte(s)
Diff to previous 1144

Many changes to get group-based cutoffs to work

Revision 1144 - (view) (annotate) - [select for diffs]
Modified Sat May 1 18:52:38 2004 UTC (20 years, 2 months ago) by tim
File length: 7789 byte(s)
Diff to previous 1143

C++ pass groupList to fortran

Revision 1143 - (view) (annotate) - [select for diffs]
Modified Thu Apr 29 16:03:38 2004 UTC (20 years, 2 months ago) by tim
File length: 7723 byte(s)
Diff to previous 1138

fixed two bugs in calc_charge_charge when using molecular cutoff

Revision 1138 - (view) (annotate) - [select for diffs]
Modified Wed Apr 28 21:39:22 2004 UTC (20 years, 2 months ago) by gezelter
File length: 7755 byte(s)
Diff to previous 1133

work on molecular cutoffs

Revision 1133 - (view) (annotate) - [select for diffs]
Modified Mon Apr 26 14:29:18 2004 UTC (20 years, 2 months ago) by gezelter
File length: 6276 byte(s)
Diff to previous 1132

Fixed a bug in calc_charge_charge.F90

Revision 1132 - (view) (annotate) - [select for diffs]
Modified Sat Apr 24 04:31:36 2004 UTC (20 years, 2 months ago) by tim
File length: 6289 byte(s)
Diff to previous 1131

add reaction field correction to charge-charge interaction

Revision 1131 - (view) (annotate) - [select for diffs]
Modified Thu Apr 22 21:33:55 2004 UTC (20 years, 2 months ago) by tim
File length: 5114 byte(s)
Diff to previous 1129

change the calculation of pressure tensor

Revision 1129 - (view) (annotate) - [select for diffs]
Modified Thu Apr 22 03:29:30 2004 UTC (20 years, 2 months ago) by tim
File length: 5123 byte(s)
Diff to previous 1113

fixed two bugs in MPI version of InitfromFile and one unmatch MPI command in DumpWriter

Revision 1113 - (view) (annotate) - [select for diffs]
Modified Thu Apr 15 16:18:26 2004 UTC (20 years, 2 months ago) by tim
File length: 5021 byte(s)
Diff to previous 945

fix whole bunch of bugs :-)

Revision 945 - (view) (annotate) - [select for diffs]
Modified Thu Jan 15 01:14:55 2004 UTC (20 years, 5 months ago) by gezelter
File length: 5022 byte(s)
Diff to previous 940

More work for adding charges

Revision 940 - (view) (annotate) - [select for diffs]
Added Tue Jan 13 22:34:55 2004 UTC (20 years, 5 months ago) by gezelter
File length: 5016 byte(s)

Some changes for new MPI organization and direct charge-charge interactions

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