[ViewVC] Log of: OpenMD/trunk/src/UseTheForce/DarkSide/LJ.F90

Revision 960 - (view) (annotate) - [select for diffs]
Modified Wed May 17 15:37:15 2006 UTC (19 years ago) by gezelter
File length: 12639 byte(s)
Diff to previous 945

Getting fortran side prepped for single precision...

Revision 945 - (view) (annotate) - [select for diffs]
Modified Tue Apr 25 02:09:01 2006 UTC (19 years, 1 month ago) by gezelter
File length: 12676 byte(s)
Diff to previous 942

Adding spherical boundary conditions to LD integrator

Revision 942 - (view) (annotate) - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (19 years, 1 month ago) by chrisfen
File length: 12732 byte(s)
Diff to previous 939

Removed sqrt splines and shape stuff (doesn't work, so why was it in there?).  Changed some of the water samples to use shifted_force.  Probably should set the defaults to use the damped version now that we sped it up.

Revision 939 - (view) (annotate) - [select for diffs]
Modified Thu Apr 20 18:24:24 2006 UTC (19 years, 1 month ago) by gezelter
File length: 15402 byte(s)
Diff to previous 938

Complete rewrite of spline code and everything that uses it.

Revision 938 - (view) (annotate) - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (19 years, 1 month ago) by gezelter
File length: 16756 byte(s)
Diff to previous 798

Many performance improvements

Revision 798 - (view) (annotate) - [select for diffs]
Modified Wed Dec 7 19:58:18 2005 UTC (19 years, 5 months ago) by chuckv
File length: 12461 byte(s)
Diff to previous 762

Removed geometric distance mixing from individual modules and now use
force options to detemine what the deal is.

Revision 762 - (view) (annotate) - [select for diffs]
Modified Mon Nov 21 22:59:02 2005 UTC (19 years, 6 months ago) by gezelter
File length: 12562 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, 7 months ago) by gezelter
File length: 14082 byte(s)
Diff to previous 656

simplifying long range potential array

Revision 656 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 18:59:16 2005 UTC (19 years, 7 months ago) by chuckv
File length: 14076 byte(s)
Diff to previous 620

Breaky Breaky: Add Support for seperating potential contributions.

Revision 620 - (view) (annotate) - [select for diffs]
Modified Wed Sep 21 23:45:48 2005 UTC (19 years, 8 months ago) by chuckv
File length: 13978 byte(s)
Diff to previous 618

Bug fix: If we are not using LJ (say we are using EAM), we probably shouldn't rebuild the LJ mixing map.

Revision 618 - (view) (annotate) - [select for diffs]
Modified Wed Sep 21 17:20:14 2005 UTC (19 years, 8 months ago) by chrisfen
File length: 13871 byte(s)
Diff to previous 590

Fixed a defaultCutoff bug (HEMES!)

Revision 590 - (view) (annotate) - [select for diffs]
Modified Wed Sep 14 19:02:33 2005 UTC (19 years, 8 months ago) by gezelter
File length: 13844 byte(s)
Diff to previous 572

fixed a bug in the createMixingMap routine.  It should now set doShift
correctly

Revision 572 - (view) (annotate) - [select for diffs]
Modified Tue Aug 9 22:33:48 2005 UTC (19 years, 9 months ago) by gezelter
File length: 13194 byte(s)
Diff to previous 537

Complete rewrite of Lennard Jones module

Revision 537 - (view) (annotate) - [select for diffs]
Modified Thu May 19 15:49:53 2005 UTC (20 years ago) by tim
File length: 12926 byte(s)
Diff to previous 507

fix bug in NPAT and NPrT

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 1 month ago) by gezelter
File length: 12950 byte(s)
Diff to previous 492

xemacs has been drafted to perform our indentation services

Revision 492 - (view) (annotate) - [select for diffs]
Modified Wed Apr 13 20:36:45 2005 UTC (20 years, 1 month ago) by chuckv
File length: 13272 byte(s)
Diff to previous 402

Added destroy methods for Fortran modules.

Revision 402 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:06:12 2005 UTC (20 years, 2 months ago) by gezelter
File length: 13096 byte(s)
Diff to previous 378

electrostatic unification project
fixed an uninitialized variable in Lennard Jones mixing map

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Feb 25 21:22:00 2005 UTC (20 years, 2 months ago) by tim
File length: 12416 byte(s)
Diff to previous 264

adding soft potential to LJ Module

Revision 264 - (view) (annotate) - [select for diffs]
Modified Fri Jan 14 20:31:16 2005 UTC (20 years, 4 months ago) by gezelter
File length: 11538 byte(s)
Diff to previous 246

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, 4 months ago) by gezelter
File length: 12107 byte(s)
Diff to previous 217

merging new_design branch into OOPSE-2.0

Revision 217 - (view) (annotate) - [select for diffs]
Modified Thu Nov 18 15:57:16 2004 UTC (20 years, 6 months ago) by chrisfen
File length: 9873 byte(s)
Diff to previous 140

Fixed a mixing list bug that slowed down the force loop

Revision 140 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 20:22:48 2004 UTC (20 years, 7 months ago) by gezelter
File length: 9845 byte(s)
Diff to previous 135

Added un-busticated fortran files and c/Fortran interfaces

Revision 135 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 20:15:31 2004 UTC (20 years, 7 months ago) by gezelter
File length: 9093 byte(s)
Diff to previous 131

Breaky Breaky.   Fixey Fixey.

Revision 131 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 15:25:30 2004 UTC (20 years, 7 months ago) by chuckv
File length: 11067 byte(s)
Diff to previous 115

Added newLJtype to lj module.

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: 9132 byte(s)

name sanity on the fortran side

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