[ViewVC] Log of: OpenMD/trunk/samples/thermoIntegration/solid/ssde.md

Revision 1973 - (view) (annotate) - [select for diffs]
Modified Thu Mar 6 19:34:22 2014 UTC (11 years, 2 months ago) by gezelter
File length: 222399 byte(s)
Diff to previous 1390

Some updates for restraints and fluctuating charges in Ewald

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File length: 222131 byte(s)
Diff to previous 1028

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

Revision 1028 - (view) (annotate) - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years, 8 months ago) by chrisfen
File length: 222129 byte(s)
Diff to previous 942

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 942 - (view) (annotate) - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (19 years ago) by chrisfen
File length: 693 byte(s)
Diff to previous 790

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 790 - (view) (annotate) - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (19 years, 5 months ago) by tim
File length: 686 byte(s)
Diff to previous 666

remove deprecated keywords from samples

Revision 666 - (view) (annotate) - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 719 byte(s)
Diff to previous 627

added default restraint spring constants into Globals

Revision 627 - (view) (annotate) - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 718 byte(s)
Diff to previous 437

fixing up some samples

Revision 437 - (view) (annotate) - [select for diffs]
Added Sat Mar 12 19:05:16 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 709 byte(s)

added some samples

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