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/cutoff/GB-Ar-max.md
File length: 103470 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 815 - (view) (annotate) - [select for diffs]
Modified Fri Dec 16 15:53:16 2005 UTC (19 years, 5 months ago) by gezelter
Original Path: trunk/samples/cutoff/GB-Ar-max.md
File length: 338 byte(s)
Diff to previous 781

Removed one parasitic argon atom which was living inside the GB
particle.  No alien-like ripping out of the stomach was required.

removing deprecated nAtoms and nComponents lines

Revision 772 - (view) (annotate) - [select for diffs]
Added Fri Dec 2 17:01:55 2005 UTC (19 years, 5 months ago) by gezelter
Original Path: trunk/samples/cutoff/GB-Ar-max.md
File length: 355 byte(s)

Added Gay-Berne / Argon test case for the cutoff policies