Revision 2970 - Directory Listing - [select for diffs]
Modified Wed Aug 2 19:40:39 2006 UTC (17 years, 11 months ago) by gezelter
Diff to previous 2955

starting change of file formats

Added tred to sample water.md files

Revision 2777 - Directory Listing - [select for diffs]
Modified Thu May 25 21:40:57 2006 UTC (18 years, 1 month ago) by chrisfen
Diff to previous 2727

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

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 2722 - Directory Listing - [select for diffs]
Modified Thu Apr 20 18:24:24 2006 UTC (18 years, 2 months ago) by gezelter
Diff to previous 2717

Complete rewrite of spline code and everything that uses it.

Many performance improvements

Revision 2489 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (18 years, 6 months ago) by tim
Diff to previous 2417

remove deprecated keywords from samples

Just testing...

Revision 2349 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (18 years, 8 months ago) by chrisfen
Diff to previous 2338

fixing up the samples

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 2221

fixing up some samples

Changed SHED to TAP

Revision 2220 - Directory Listing - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (19 years, 2 months ago) by chrisfen
Diff to previous 2216

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

Added TIP4P-Ew

Revision 2193 - Directory Listing - [select for diffs]
Modified Wed Apr 13 23:29:14 2005 UTC (19 years, 2 months ago) by chrisfen
Diff to previous 2115

oops...  bad sample

fixed a bug in MPI restraints

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

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

Import of OOPSE v. 2.0