[ViewVC] Log of: OpenMD/branches/heatflux/samples/argon/500.md

Revision 1681 - (view) (annotate) - [select for diffs]
Modified Tue Feb 28 16:30:45 2012 UTC (13 years, 9 months ago) by chuckv
File length: 36025 byte(s)
Diff to previous 1670

More bug fixes....

Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 10 months ago) by chuckv
File length: 35875 byte(s)
Diff to previous 1390

Adding experimental branch for calculation of the heatflux based on old version of OpenMD.
This will need to be ported to the development branch later.

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (16 years ago) by gezelter
Original Path: trunk/samples/argon/500.md
File length: 35875 byte(s)
Diff to previous 1289

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

Revision 1289 - (view) (annotate) - [select for diffs]
Modified Wed Sep 10 19:40:06 2008 UTC (17 years, 3 months ago) by cli2
Original Path: trunk/samples/argon/500.md
File length: 35873 byte(s)
Diff to previous 1131

Fixes for Torsions and Inversions, Amber is mostly working now.

Revision 1131 - (view) (annotate) - [select for diffs]
Modified Wed May 2 00:18:08 2007 UTC (18 years, 7 months ago) by chrisfen
Original Path: trunk/samples/argon/500.md
File length: 60127 byte(s)
Diff to previous 1070

fixed a bug where the pressure tensor wouldn't update for atoms in the switching region when # of atoms in a group = 1

Revision 1070 - (view) (annotate) - [select for diffs]
Modified Sat Oct 14 20:21:26 2006 UTC (19 years, 2 months ago) by gezelter
Original Path: trunk/samples/argon/500.md
File length: 60127 byte(s)
Diff to previous 1028

fixed a few bugs

Revision 1028 - (view) (annotate) - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (19 years, 3 months ago) by chrisfen
Original Path: trunk/samples/argon/500.md
File length: 60125 byte(s)
Diff to previous 940

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 940 - (view) (annotate) - [select for diffs]
Modified Thu Apr 20 21:02:00 2006 UTC (19 years, 7 months ago) by chrisfen
Original Path: trunk/samples/argon/500.md
File length: 319 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, 7 months ago) by gezelter
Original Path: trunk/samples/argon/500.md
File length: 368 byte(s)
Diff to previous 937

Many performance improvements

Revision 937 - (view) (annotate) - [select for diffs]
Modified Sun Apr 16 02:51:16 2006 UTC (19 years, 7 months ago) by chrisfen
Original Path: trunk/samples/argon/500.md
File length: 368 byte(s)
Diff to previous 790

added a cubic spline to switcheroo

Revision 790 - (view) (annotate) - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (20 years ago) by tim
Original Path: trunk/samples/argon/500.md
File length: 368 byte(s)
Diff to previous 736

remove deprecated keywords from samples

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Modified Tue Nov 15 16:37:51 2005 UTC (20 years ago) by chrisfen
Original Path: trunk/samples/argon/500.md
File length: 384 byte(s)
Diff to previous 723

just playing around - we need to refresh all the samples sometime soon...

Revision 723 - (view) (annotate) - [select for diffs]
Modified Fri Nov 11 15:21:05 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/samples/argon/500.md
File length: 384 byte(s)
Diff to previous 594

playing with switching functions

Revision 594 - (view) (annotate) - [select for diffs]
Modified Thu Sep 15 00:11:18 2005 UTC (20 years, 2 months ago) by chrisfen
Original Path: trunk/samples/argon/500.md
File length: 291 byte(s)
Diff to previous 2

Equilibrated the sample

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 2 months ago) by gezelter
Original Path: trunk/samples/argon/500.md
File length: 291 byte(s)

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