[ViewVC] Log of: OpenMD/branches/development/src/UseTheForce/DarkSide/sticky.F90

Revision 1467 - (view) (annotate) - [select for diffs]
Modified Sat Jul 17 15:33:03 2010 UTC (14 years, 9 months ago) by gezelter
File length: 23419 byte(s)
Diff to previous 1465

well, it compiles, but still segfaults

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
File length: 23547 byte(s)
Diff to previous 1464

Creating busticated version of OpenMD

Revision 1464 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 23547 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
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 23712 byte(s)
Diff to previous 1390

Adding property set to svn entries

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 23794 byte(s)
Diff to previous 1386

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Revision 1386 - (view) (annotate) - [select for diffs]
Modified Fri Oct 23 18:41:09 2009 UTC (15 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
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++

Revision 960 - (view) (annotate) - [select for diffs]
Modified Wed May 17 15:37:15 2006 UTC (18 years, 11 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 31629 byte(s)
Diff to previous 940

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 ago) by chrisfen
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 31492 byte(s)
Diff to previous 938

splined up sticky

Revision 938 - (view) (annotate) - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (19 years ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 29332 byte(s)
Diff to previous 662

Many performance improvements

Revision 662 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 21:00:50 2005 UTC (19 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 29428 byte(s)
Diff to previous 658

simplifying long range potential array

Revision 658 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 20:18:17 2005 UTC (19 years, 6 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 29458 byte(s)
Diff to previous 656

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, 6 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 29414 byte(s)
Diff to previous 578

Breaky Breaky: Add Support for seperating potential contributions.

Revision 578 - (view) (annotate) - [select for diffs]
Modified Fri Aug 26 21:30:41 2005 UTC (19 years, 8 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 29302 byte(s)
Diff to previous 554

added some probably nonfunctional get*cut routines

Revision 554 - (view) (annotate) - [select for diffs]
Modified Sun May 29 21:16:25 2005 UTC (19 years, 11 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 28876 byte(s)
Diff to previous 535

Removed balance from the Darkside (files)

Revision 535 - (view) (annotate) - [select for diffs]
Modified Wed May 18 19:06:22 2005 UTC (19 years, 11 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 28971 byte(s)
Diff to previous 534

just some tap changes

Revision 534 - (view) (annotate) - [select for diffs]
Modified Wed May 18 18:31:40 2005 UTC (19 years, 11 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 28971 byte(s)
Diff to previous 532

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

Revision 532 - (view) (annotate) - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (19 years, 11 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 31764 byte(s)
Diff to previous 527

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 (19 years, 11 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 31167 byte(s)
Diff to previous 523

Couple of changes for TAP water.  Need to parametrize.

Revision 523 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years ago) by chrisfen
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 29815 byte(s)
Diff to previous 507

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 ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 17332 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 ago) by chuckv
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 17397 byte(s)
Diff to previous 437

Added destroy methods for Fortran modules.

Revision 437 - (view) (annotate) - [select for diffs]
Modified Sat Mar 12 19:05:16 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 17243 byte(s)
Diff to previous 264

added some samples

Revision 264 - (view) (annotate) - [select for diffs]
Modified Fri Jan 14 20:31:16 2005 UTC (20 years, 3 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 17242 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, 3 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 17664 byte(s)
Diff to previous 128

merging new_design branch into OOPSE-2.0

Revision 128 - (view) (annotate) - [select for diffs]
Modified Wed Oct 20 21:52:20 2004 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 14018 byte(s)
Diff to previous 115

fixed a fortran name problem

Revision 115 - (view) (annotate) - [select for diffs]
Added Wed Oct 20 04:02:48 2004 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/sticky.F90
File length: 14058 byte(s)

name sanity on the fortran side

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