[ViewVC] Log of: OpenMD/branches/heatflux/samples/water/ssde/ssde.md

Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (14 years, 1 month ago) by chuckv
File length: 55978 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, 3 months ago) by gezelter
Original Path: trunk/samples/water/ssde/ssde.md
File length: 55978 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 (19 years, 6 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 55976 byte(s)
Diff to previous 1021

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 1021 - (view) (annotate) - [select for diffs]
Modified Wed Aug 2 19:40:39 2006 UTC (19 years, 7 months ago) by gezelter
Original Path: trunk/samples/water/ssde/ssde.md
File length: 468 byte(s)
Diff to previous 942

starting change of file formats

Revision 942 - (view) (annotate) - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (19 years, 10 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 467 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, 10 months ago) by gezelter
Original Path: trunk/samples/water/ssde/ssde.md
File length: 499 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, 10 months ago) by gezelter
Original Path: trunk/samples/water/ssde/ssde.md
File length: 500 byte(s)
Diff to previous 790

Many performance improvements

Revision 790 - (view) (annotate) - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (20 years, 2 months ago) by tim
Original Path: trunk/samples/water/ssde/ssde.md
File length: 499 byte(s)
Diff to previous 718

remove deprecated keywords from samples

Revision 718 - (view) (annotate) - [select for diffs]
Modified Tue Nov 8 13:31:08 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 515 byte(s)
Diff to previous 639

Just testing...

Revision 639 - (view) (annotate) - [select for diffs]
Modified Wed Sep 28 18:47:01 2005 UTC (20 years, 5 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 503 byte(s)
Diff to previous 627

fixed some samples

Revision 627 - (view) (annotate) - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (20 years, 5 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 502 byte(s)
Diff to previous 523

fixing up some samples

Revision 523 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years, 9 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 493 byte(s)
Diff to previous 496

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

Revision 496 - (view) (annotate) - [select for diffs]
Modified Wed Apr 13 23:29:14 2005 UTC (20 years, 10 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 495 byte(s)
Diff to previous 431

oops...  bad sample

Revision 431 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (20 years, 11 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 593 byte(s)
Diff to previous 2

fixed a bug in MPI restraints

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 5 months ago) by gezelter
Original Path: trunk/samples/water/ssde/ssde.md
File length: 495 byte(s)

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