Revision 2990 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (17 years, 10 months ago) by chrisfen
Diff to previous 2955 , to selected 2216

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Added tred to sample water.md files

Revision 2862 - Directory Listing - [select for diffs]
Modified Thu Jun 15 18:38:58 2006 UTC (18 years ago) by gezelter
Diff to previous 2777 , to selected 2216

added mpi compilers, demoted pg compilers after pathscale

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

Revision 2727 - Directory Listing - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (18 years, 2 months ago) by chrisfen
Diff to previous 2552 , to selected 2216

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.

unifying function name in electrostatics

Revision 2489 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (18 years, 7 months ago) by tim
Diff to previous 2349 , to selected 2216

remove deprecated keywords from samples

fixing up the samples

Revision 2342 - Directory Listing - [select for diffs]
Modified Tue Oct 4 19:32:58 2005 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 2338 , to selected 2216

just some random changes when testing

fixed some samples

Revision 2326 - Directory Listing - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 2216

fixing up some samples

Added TIP4P-Ew

Revision 1549 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:58 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1543 , to selected 2216

fix Makefile under water directory

add Makefile to sample directory

Revision 1490 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (19 years, 9 months ago) by gezelter
Diff to selected 2216

Import of OOPSE v. 2.0