performance fixes in the dipole dipole and reaction field code

Revision 898 - (view) (annotate) - [select for diffs]
Modified Mon Jan 5 22:49:14 2004 UTC (20 years, 6 months ago) by chuckv
File length: 8597 byte(s)
Diff to previous 730

Attempting to increase performance by reducing spurious function calls

More fixes for stress tensor parallel bug.

Revision 626 - (view) (annotate) - [select for diffs]
Modified Wed Jul 16 21:30:56 2003 UTC (20 years, 11 months ago) by mmeineke
File length: 8485 byte(s)
Diff to previous 621

Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.

more fixes for box changes

Revision 611 - (view) (annotate) - [select for diffs]
Modified Tue Jul 15 17:10:50 2003 UTC (20 years, 11 months ago) by gezelter
File length: 7985 byte(s)
Diff to previous 483

Fixing  pressure tensor

fixes for NPT and NVT

Revision 460 - (view) (annotate) - [select for diffs]
Modified Fri Apr 4 22:22:30 2003 UTC (21 years, 3 months ago) by chuckv
File length: 7618 byte(s)
Diff to previous 394

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

electrostatic changes for dipole / RF separation

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 7419 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/calc_reaction_field.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