[ViewVC] Log of: OpenMD/trunk/samples/water/tip4p

Revision 1028 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 1009 , to selected 988

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 1009 - Directory Listing - [select for diffs]
Modified Wed Jul 19 12:46:20 2006 UTC (19 years, 10 months ago) by chrisfen
Diff to previous 988

Added tred to sample water.md files

Revision 988 - Directory Listing - [selected]
Modified Thu Jun 15 18:38:58 2006 UTC (19 years, 11 months ago) by gezelter
Diff to previous 979

added mpi compilers, demoted pg compilers after pathscale

Revision 979 - Directory Listing - [select for diffs]
Modified Thu May 25 21:40:57 2006 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 942 , to selected 988

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

Revision 942 - Directory Listing - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 853 , to selected 988

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 853 - Directory Listing - [select for diffs]
Modified Thu Jan 12 16:47:25 2006 UTC (20 years, 4 months ago) by chrisfen
Diff to previous 790 , to selected 988

unifying function name in electrostatics

Revision 790 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 650 , to selected 988

remove deprecated keywords from samples

Revision 650 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 643 , to selected 988

fixing up the samples

Revision 643 - Directory Listing - [select for diffs]
Modified Tue Oct 4 19:32:58 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 639 , to selected 988

just some random changes when testing

Revision 639 - Directory Listing - [select for diffs]
Modified Wed Sep 28 18:47:01 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 627 , to selected 988

fixed some samples

Revision 627 - Directory Listing - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 519 , to selected 988

fixing up some samples

Revision 519 - Directory Listing - [select for diffs]
Modified Fri Apr 29 16:26:27 2005 UTC (21 years ago) by chrisfen
Diff to previous 57 , to selected 988

Added TIP4P-Ew

Revision 57 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:58 2004 UTC (21 years, 7 months ago) by tim
Diff to previous 51 , to selected 988

fix Makefile under water directory

Revision 51 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:04:25 2004 UTC (21 years, 7 months ago) by tim
Diff to previous 2 , to selected 988

add Makefile to sample directory

Revision 2 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 7 months ago) by gezelter
Diff to selected 988

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