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: 9199 byte(s)
Diff to previous 1160

Fixes for stress / pressure tensor by cutoff group

Fortran-side changes for group-based cutoffs

Revision 999 - (view) (annotate) - [select for diffs]
Modified Fri Jan 30 15:01:09 2004 UTC (20 years, 5 months ago) by chrisfen
File length: 10216 byte(s)
Diff to previous 901

Substantial changes. OOPSE now has a working WATER.cpp forcefield and parser.
This involved changes to WATER.cpp and ForceFields amoung other files. One important
note: a hardwiring of LJ_rcut was made in calc_LJ_FF.F90. This will be removed on
the next commit...

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