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

Revision 1028 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 1009

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 (18 years, 10 months ago) by chrisfen
Diff to previous 988

Added tred to sample water.md files

Revision 988 - Directory Listing - [select for diffs]
Modified Thu Jun 15 18:38:58 2006 UTC (18 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 ago) by chrisfen
Diff to previous 942

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 (19 years, 1 month ago) by chrisfen
Diff to previous 853

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 (19 years, 4 months ago) by chrisfen
Diff to previous 790

unifying function name in electrostatics

Revision 790 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (19 years, 5 months ago) by tim
Diff to previous 650

remove deprecated keywords from samples

Revision 650 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 643

fixing up the samples

Revision 643 - Directory Listing - [select for diffs]
Modified Tue Oct 4 19:32:58 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 639

just some random changes when testing

Revision 639 - Directory Listing - [select for diffs]
Modified Wed Sep 28 18:47:01 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 627

fixed some samples

Revision 627 - Directory Listing - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 519

fixing up some samples

Revision 519 - Directory Listing - [select for diffs]
Modified Fri Apr 29 16:26:27 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 57

Added TIP4P-Ew

Revision 57 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:58 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 51

fix Makefile under water directory

Revision 51 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:04:25 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 2

add Makefile to sample directory

Revision 2 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 8 months ago) by gezelter

Import of OOPSE v. 2.0

Convenience Links