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/ssdrf/ssdrf.md
File length: 56009 byte(s)
Diff to previous 1028

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

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, 10 months ago) by chrisfen
Original Path: trunk/samples/water/ssdrf/ssdrf.md
File length: 500 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.

remove deprecated keywords from samples

Revision 694 - (view) (annotate) - [select for diffs]
Modified Sun Oct 23 21:07:06 2005 UTC (20 years, 4 months ago) by chrisfen
Original Path: trunk/samples/water/ssdrf/ssdrf.md
File length: 515 byte(s)
Diff to previous 690

minor changes when testing reaction field

nothing

Revision 625 - (view) (annotate) - [select for diffs]
Modified Sat Sep 24 17:38:10 2005 UTC (20 years, 5 months ago) by chrisfen
Original Path: trunk/samples/water/ssdrf/ssdrf.md
File length: 515 byte(s)
Diff to previous 612

turned rf on

fixed up some sample md files

Revision 611 - (view) (annotate) - [select for diffs]
Modified Mon Sep 19 23:21:46 2005 UTC (20 years, 5 months ago) by chrisfen
Original Path: trunk/samples/water/ssdrf/ssdrf.md
File length: 508 byte(s)
Diff to previous 610

Fixed bugs in reaction field, now it appears as though it really is working...

reaction field seems to work now, still need to do some testing...

Revision 375 - (view) (annotate) - [select for diffs]
Added Tue Feb 22 19:26:05 2005 UTC (21 years ago) by chrisfen
Original Path: trunk/samples/water/ssdrf/ssdrf.md
File length: 496 byte(s)

Added ssdrf sample