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 , to selected 2101

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 , to selected 2101

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 , to selected 2101

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 , to selected 2101

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 , to selected 2101

Added TIP4P-Ew

added some samples

Revision 2115 - Directory Listing - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (19 years, 4 months ago) by chrisfen
Diff to previous 2107 , to selected 2101

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 , to selected 2101

fixes to restraints

fixing restraints

Revision 2101 - Directory Listing - [selected]
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 , to selected 2101

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 , to selected 2101

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, 8 months ago) by chrisfen
Diff to previous 1549 , to selected 2101

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 , to selected 2101

add Makefile to sample directory

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