Revision 1973 - Directory Listing - [selected]
Modified Thu Mar 6 19:34:22 2014 UTC (11 years, 3 months ago) by gezelter
Diff to previous 1782

Some updates for restraints and fluctuating charges in Ewald

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1393 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:36:46 2009 UTC (15 years, 6 months ago) by gezelter
Diff to previous 1390 , to selected 1973

removing spurious cutoffGroup lines from default water.md sample files

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

Revision 1146 - Directory Listing - [select for diffs]
Modified Sat Jun 2 20:53:20 2007 UTC (18 years ago) by chuckv
Diff to previous 1028 , to selected 1973

Fixed Makefile problems with the samples and added several missing makefiles.

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, 11 months ago) by chrisfen
Diff to previous 979 , to selected 1973

Added tred to sample water.md files

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, 2 months ago) by chrisfen
Diff to previous 790 , to selected 1973

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 - Directory Listing - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 627 , to selected 1973

added default restraint spring constants into Globals

fixing up some samples

Revision 438 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:12:56 2005 UTC (20 years, 3 months ago) by chrisfen
Diff to previous 437 , to selected 1973

forgot a couple of makefiles

added some samples