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

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 1021

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 1021 - Directory Listing - [select for diffs]
Modified Wed Aug 2 19:40:39 2006 UTC (18 years, 10 months ago) by gezelter
Diff to previous 1009

starting change of file formats

Revision 1009 - Directory Listing - [select for diffs]
Modified Wed Jul 19 12:46:20 2006 UTC (18 years, 11 months ago) by chrisfen
Diff to previous 979

Added tred to sample water.md files

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, 2 months ago) by chrisfen
Diff to previous 939

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 939 - Directory Listing - [select for diffs]
Modified Thu Apr 20 18:24:24 2006 UTC (19 years, 2 months ago) by gezelter
Diff to previous 938

Complete rewrite of spline code and everything that uses it.

Revision 938 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (19 years, 2 months ago) by gezelter
Diff to previous 790

Many performance improvements

Revision 790 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 718

remove deprecated keywords from samples

Revision 718 - Directory Listing - [select for diffs]
Modified Tue Nov 8 13:31:08 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 650

Just testing...

Revision 650 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 639

fixing up the samples

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 524

fixing up some samples

Revision 524 - Directory Listing - [select for diffs]
Modified Thu May 5 15:06:04 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 523

Changed SHED to TAP

Revision 523 - Directory Listing - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 519

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

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 496

Added TIP4P-Ew

Revision 496 - Directory Listing - [select for diffs]
Modified Wed Apr 13 23:29:14 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 431

oops...  bad sample

Revision 431 - Directory Listing - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (20 years, 3 months ago) by chrisfen
Diff to previous 57

fixed a bug in MPI restraints

Revision 57 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:58 2004 UTC (20 years, 8 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, 8 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

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