Revision 1192 - (view) (annotate) - [select for diffs]
Modified Mon May 24 21:03:30 2004 UTC (20 years, 11 months ago) by gezelter
File length: 13459 byte(s)
Diff to previous 1160

Fixes for stress / pressure tensor by cutoff group

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, 11 months ago) by gezelter
File length: 14161 byte(s)
Diff to previous 898

Many changes to get group-based cutoffs to work

Attempting to increase performance by reducing spurious function calls

Revision 843 - (view) (annotate) - [select for diffs]
Modified Wed Oct 29 20:41:39 2003 UTC (21 years, 6 months ago) by mmeineke
File length: 14040 byte(s)
Diff to previous 730

fixed a stdlib.h include error in bass.l

fixed a little bug in the first time step, regarding the setting of ecr and est in fortran

More fixes for stress tensor parallel bug.

Revision 727 - (view) (annotate) - [select for diffs]
Modified Wed Aug 27 16:16:01 2003 UTC (21 years, 8 months ago) by tim
File length: 14033 byte(s)
Diff to previous 636

fix bug in calc_dipole_dipole.F90 and calc_stikcy_pair.F90
molMembershipList use global index instead of local index

Fixes for SSD/E

Revision 635 - (view) (annotate) - [select for diffs]
Modified Thu Jul 17 20:32:24 2003 UTC (21 years, 9 months ago) by gezelter
File length: 13731 byte(s)
Diff to previous 611

Changes for SSD/E

Fixing  pressure tensor

Revision 534 - (view) (annotate) - [select for diffs]
Modified Tue May 13 21:23:41 2003 UTC (21 years, 11 months ago) by mmeineke
File length: 12978 byte(s)
Diff to previous 483

optimized the ssd calc loop

fixes for NPT and NVT

Revision 482 - (view) (annotate) - [select for diffs]
Modified Tue Apr 8 22:38:43 2003 UTC (22 years ago) by chuckv
File length: 12486 byte(s)
Diff to previous 473

It works (kinda)...

fixed a sign error in the radial portion of SSD.

Revision 469 - (view) (annotate) - [select for diffs]
Modified Mon Apr 7 20:06:31 2003 UTC (22 years ago) by mmeineke
File length: 12488 byte(s)
Diff to previous 460

bug fixes

Breaking c and fortran, c gets smarter, fortran gets dumber...

Revision 443 - (view) (annotate) - [select for diffs]
Modified Wed Apr 2 22:19:03 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 12871 byte(s)
Diff to previous 394

dipoles mostly work, but there is a memory leak somewhere.

electrostatic changes for dipole / RF separation

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 12728 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/calc_sticky_pair.F90 revision 377
Diff to previous 377

This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

New OOPSE Tree