Revision 1386 - (view) (annotate) - [select for diffs]
Modified Fri Oct 23 18:41:09 2009 UTC (15 years, 7 months ago) by gezelter
File length: 23777 byte(s)
Diff to previous 960

removing MPI responsibilities from the lowest level force routines.  This is
in preparation for migrating these routines (LJ, electrostatic, eam, suttonchen,
gay-berne, sticky) to C++

Getting fortran side prepped for single precision...

Revision 940 - (view) (annotate) - [select for diffs]
Modified Thu Apr 20 21:02:00 2006 UTC (19 years, 1 month ago) by chrisfen
File length: 31492 byte(s)
Diff to previous 938

splined up sticky

Many performance improvements

Revision 662 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 21:00:50 2005 UTC (19 years, 8 months ago) by gezelter
File length: 29428 byte(s)
Diff to previous 658

simplifying long range potential array

More Change goodness for calculation of potential.

Revision 656 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 18:59:16 2005 UTC (19 years, 8 months ago) by chuckv
File length: 29414 byte(s)
Diff to previous 578

Breaky Breaky: Add Support for seperating potential contributions.

added some probably nonfunctional get*cut routines

Revision 554 - (view) (annotate) - [select for diffs]
Modified Sun May 29 21:16:25 2005 UTC (20 years ago) by chrisfen
File length: 28876 byte(s)
Diff to previous 535

Removed balance from the Darkside (files)

just some tap changes

Revision 534 - (view) (annotate) - [select for diffs]
Modified Wed May 18 18:31:40 2005 UTC (20 years ago) by chrisfen
File length: 28971 byte(s)
Diff to previous 532

Modifications to temper the dipolar strength in the first solvation shell for tap

Modifications to tap.  Also correcting changes to the previous merge that were not caught

Revision 527 - (view) (annotate) - [select for diffs]
Modified Thu May 12 19:43:48 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 31167 byte(s)
Diff to previous 523

Couple of changes for TAP water.  Need to parametrize.

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 2 months ago) by gezelter
File length: 17332 byte(s)
Diff to previous 492

xemacs has been drafted to perform our indentation services

Added destroy methods for Fortran modules.

Revision 437 - (view) (annotate) - [select for diffs]
Modified Sat Mar 12 19:05:16 2005 UTC (20 years, 3 months ago) by chrisfen
File length: 17243 byte(s)
Diff to previous 264

added some samples

separating modules and C/Fortran interface subroutines

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 5 months ago) by gezelter
File length: 17664 byte(s)
Diff to previous 128

merging new_design branch into OOPSE-2.0

fixed a fortran name problem

Revision 115 - (view) (annotate) - [select for diffs]
Added Wed Oct 20 04:02:48 2004 UTC (20 years, 7 months ago) by gezelter
File length: 14058 byte(s)

name sanity on the fortran side