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 2724

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.

Electrosplines added...

Revision 2578 - Directory Listing - [select for diffs]
Modified Wed Feb 1 20:54:46 2006 UTC (18 years, 5 months ago) by chrisfen
Diff to previous 2489

Changes to cutoff radius setting to a more logical procedure - still may change...

remove deprecated keywords from samples

Revision 2441 - Directory Listing - [select for diffs]
Modified Wed Nov 16 19:57:09 2005 UTC (18 years, 7 months ago) by chrisfen
Diff to previous 2437

just some parameters

just playing

Revision 2435 - Directory Listing - [select for diffs]
Modified Tue Nov 15 16:37:51 2005 UTC (18 years, 7 months ago) by chrisfen
Diff to previous 2417

just playing around - we need to refresh all the samples sometime soon...

Just testing...

Revision 2414 - Directory Listing - [select for diffs]
Modified Thu Nov 3 23:11:39 2005 UTC (18 years, 8 months ago) by chrisfen
Diff to previous 2392

mmm...  damped shifted force...

reaction field now works for charges

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 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 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, 9 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