[ViewVC] Log of: group/trunk/OOPSE-4/samples/thermoIntegration

Revision 2777 - Directory Listing - [select for diffs]
Modified Thu May 25 21:40:57 2006 UTC (19 years, 5 months ago) by chrisfen
Diff to previous 2727 , to selected 2326

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 (19 years, 6 months ago) by chrisfen
Diff to previous 2489 , to selected 2326

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 2489 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (19 years, 10 months ago) by tim
Diff to previous 2365 , to selected 2326

remove deprecated keywords from samples

Revision 2365 - Directory Listing - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (20 years ago) by chrisfen
Diff to previous 2326

added default restraint spring constants into Globals

Revision 2326 - Directory Listing - [selected]
Modified Mon Sep 26 14:27:53 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 2122

fixing up some samples

Revision 2122 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:12:56 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 2121 , to selected 2326

forgot a couple of makefiles

Revision 2121 - Directory Listing - [select for diffs]
Added Sat Mar 12 19:05:16 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to selected 2326

added some samples

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