Creating busticated version of OpenMD

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/samples/thermoIntegration/solid/ssde.md
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)

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
Original Path: trunk/samples/thermoIntegration/solid/ssde.md
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.

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
Original Path: trunk/samples/thermoIntegration/solid/ssde.md
File length: 719 byte(s)
Diff to previous 627

added default restraint spring constants into Globals

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
Original Path: trunk/samples/thermoIntegration/solid/ssde.md
File length: 709 byte(s)

added some samples