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

Revision 623 - (view) (annotate) - [select for diffs]
Modified Wed Jul 16 16:40:03 2003 UTC (21 years, 9 months ago) by chuckv
File length: 8876 byte(s)
Diff to previous 619

Fixed bug in updating mixing lists

Revision 619 - (view) (annotate) - [select for diffs]
Modified Tue Jul 15 22:22:41 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 8921 byte(s)
Diff to previous 611

fixed a long lived bug in do_forces. Rrf was not being used in the neighborlist correctly. rcut was conssistently being set lowere than Rrf causing the dipole cutoff region to be to small. Also led to the removal of the taper region to buffer the dipole cutoff.

Revision 611 - (view) (annotate) - [select for diffs]
Modified Tue Jul 15 17:10:50 2003 UTC (21 years, 9 months ago) by gezelter
File length: 8839 byte(s)
Diff to previous 491

Fixing  pressure tensor

Revision 491 - (view) (annotate) - [select for diffs]
Modified Fri Apr 11 18:46:37 2003 UTC (22 years ago) by mmeineke
File length: 8655 byte(s)
Diff to previous 490

fixed a memory bug in Fortran, where molMembershipArray was declared nLocal instead of nGlobal.

Revision 490 - (view) (annotate) - [select for diffs]
Modified Fri Apr 11 15:16:59 2003 UTC (22 years ago) by gezelter
File length: 8763 byte(s)
Diff to previous 483

Bug fix in progress for NPT

Revision 483 - (view) (annotate) - [select for diffs]
Modified Wed Apr 9 04:06:43 2003 UTC (22 years, 1 month ago) by gezelter
File length: 8499 byte(s)
Diff to previous 482

fixes for NPT and NVT

Revision 482 - (view) (annotate) - [select for diffs]
Modified Tue Apr 8 22:38:43 2003 UTC (22 years, 1 month ago) by chuckv
File length: 8354 byte(s)
Diff to previous 460

It works (kinda)...

Revision 460 - (view) (annotate) - [select for diffs]
Modified Fri Apr 4 22:22:30 2003 UTC (22 years, 1 month ago) by chuckv
File length: 8357 byte(s)
Diff to previous 378

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

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: 8340 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/calc_LJ_FF.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.

Revision 377 - (view) (annotate) - [select for diffs]
Added Fri Mar 21 17:42:12 2003 UTC (22 years, 1 month ago) by mmeineke
Original Path: branches/mmeineke/OOPSE/libmdtools/calc_LJ_FF.F90
File length: 8340 byte(s)

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