Revision 2955 - Directory Listing - [select for diffs]
Modified Wed Jul 19 12:46:20 2006 UTC (17 years, 11 months ago) by chrisfen
Diff to previous 2777

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 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 2489

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 2349 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 2342

fixing up the samples

just some random changes when testing

Revision 2338 - Directory Listing - [select for diffs]
Modified Wed Sep 28 18:47:01 2005 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 2326

fixed some samples

fixing up some samples

Revision 2216 - Directory Listing - [select for diffs]
Modified Fri Apr 29 16:26:27 2005 UTC (19 years, 2 months ago) by chrisfen
Diff to previous 2121

Added TIP4P-Ew

added some samples

Revision 2115 - Directory Listing - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (19 years, 3 months ago) by chrisfen
Diff to previous 2107

fixed a bug in MPI restraints

Oops...  MPI now builds...

Revision 2104 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:27:16 2005 UTC (19 years, 4 months ago) by chrisfen
Diff to previous 2103

fixes to restraints

fixing restraints

Revision 2101 - Directory Listing - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (19 years, 4 months ago) by chrisfen
Diff to previous 1817

First commit of the new restraints code

fixed a sample

Revision 1776 - Directory Listing - [select for diffs]
Modified Wed Nov 24 18:05:55 2004 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 1773

oops...

Back to normal... Oh... Restraints should work in parallel now

Revision 1771 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:47:47 2004 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 1732

just some testing changes, I'll return to the original on next commit

working sample

Revision 1728 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:46:02 2004 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 1549

Fun with ice

fix Makefile under water directory

Revision 1543 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:04:25 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1490

add Makefile to sample directory

Import of OOPSE v. 2.0