[ViewVC] Log of: OpenMD/trunk/samples/thermoIntegration/liquid

Revision 1028 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years, 8 months ago) by chrisfen
Diff to previous 1009

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 1009 - Directory Listing - [select for diffs]
Modified Wed Jul 19 12:46:20 2006 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 979

Added tred to sample water.md files

Revision 979 - Directory Listing - [select for diffs]
Modified Thu May 25 21:40:57 2006 UTC (18 years, 11 months ago) by chrisfen
Diff to previous 942

Added TIP5P-E and fixed a bug for Thermodynamic integration (you can now have a lambda of 0)

Revision 942 - Directory Listing - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (19 years ago) by chrisfen
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.

Revision 790 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (19 years, 5 months ago) by tim
Diff to previous 666

remove deprecated keywords from samples

Revision 666 - Directory Listing - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (19 years, 6 months ago) by chrisfen
Diff to previous 627

added default restraint spring constants into Globals

Revision 627 - Directory Listing - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 438

fixing up some samples

Revision 438 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:12:56 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 437

forgot a couple of makefiles

Revision 437 - Directory Listing - [select for diffs]
Added Sat Mar 12 19:05:16 2005 UTC (20 years, 1 month ago) by chrisfen

added some samples

Convenience Links