[ViewVC] Log of: OpenMD/trunk/src/UseTheForce/doForces

Revision 1464 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (14 years, 9 months ago) by gezelter
File length: 2997 byte(s)
Diff to previous 1442

removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
File length: 3084 byte(s)
Diff to previous 1386

Adding property set to svn entries

Revision 1386 - (view) (annotate) - [select for diffs]
Modified Fri Oct 23 18:41:09 2009 UTC (15 years, 6 months ago) by gezelter
File length: 3084 byte(s)
Diff to previous 1245

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++

Revision 1245 - (view) (annotate) - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (16 years, 11 months ago) by chuckv
File length: 3084 byte(s)
Diff to previous 1129

Checking in changes for Hefland moment calculations

Revision 1129 - (view) (annotate) - [select for diffs]
Modified Fri Apr 20 18:15:48 2007 UTC (18 years ago) by chrisfen
File length: 3001 byte(s)
Diff to previous 998

SF Lennard-Jones was added for everyones' enjoyment.  The behavior is tethered to the electrostaticSummationMethod keyword.

Revision 998 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 2923 byte(s)
Diff to previous 809

Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants

Revision 809 - (view) (annotate) - [select for diffs]
Modified Mon Dec 12 19:32:50 2005 UTC (19 years, 4 months ago) by gezelter
File length: 2506 byte(s)
Diff to previous 762

made some minor changes to allow compilation with the portland group
compilers

Revision 762 - (view) (annotate) - [select for diffs]
Modified Mon Nov 21 22:59:02 2005 UTC (19 years, 5 months ago) by gezelter
File length: 2512 byte(s)
Diff to previous 662

Cutoff mixing fixes have been made.

Revision 662 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 21:00:50 2005 UTC (19 years, 6 months ago) by gezelter
File length: 1556 byte(s)
Diff to previous 659

simplifying long range potential array

Revision 659 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 20:22:34 2005 UTC (19 years, 6 months ago) by chuckv
File length: 1558 byte(s)
Diff to previous 610

Breaky, Breaky: c-fortran interface now expects an array for pot.

Revision 610 - (view) (annotate) - [select for diffs]
Modified Sun Sep 18 20:45:38 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 1460 byte(s)
Diff to previous 608

reaction field seems to work now, still need to do some testing...

Revision 608 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 21:07:45 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 1593 byte(s)
Diff to previous 596

xlf found a bug that ifc missed...

Revision 596 - (view) (annotate) - [select for diffs]
Modified Thu Sep 15 00:13:15 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 1675 byte(s)
Diff to previous 586

some changes to activate the coulombicCorrection selector

Revision 586 - (view) (annotate) - [select for diffs]
Modified Wed Sep 7 20:46:46 2005 UTC (19 years, 7 months ago) by gezelter
File length: 1579 byte(s)
Diff to previous 581

adding c-side interface to change cutoff Policy

Revision 581 - (view) (annotate) - [select for diffs]
Modified Thu Sep 1 20:17:55 2005 UTC (19 years, 8 months ago) by gezelter
File length: 1578 byte(s)
Diff to previous 580

wrote createGtypeCutoffMap

Revision 580 - (view) (annotate) - [select for diffs]
Modified Tue Aug 30 18:23:50 2005 UTC (19 years, 8 months ago) by chrisfen
File length: 1461 byte(s)
Diff to previous 507

made some changes for implementing the wolf potential

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 1353 byte(s)
Diff to previous 264

xemacs has been drafted to perform our indentation services

Revision 264 - (view) (annotate) - [select for diffs]
Added Fri Jan 14 20:31:16 2005 UTC (20 years, 3 months ago) by gezelter
File length: 1365 byte(s)

separating modules and C/Fortran interface subroutines

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