Revision 1820 - (view) (annotate) - [select for diffs]
Modified Tue Dec 18 16:23:13 2012 UTC (12 years, 7 months ago) by gezelter
File length: 56015 byte(s)
Diff to previous 1618

New electrostatic bug fixes.

Build fixes for qhull 2011, fixes for compilation with PGI.

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (15 years ago) by chuckv
File length: 55978 byte(s)
Diff to previous 1390

Creating busticated version of OpenMD

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Revision 1028 - (view) (annotate) - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years, 10 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 55976 byte(s)
Diff to previous 1021

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

starting change of file formats

Revision 942 - (view) (annotate) - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (19 years, 3 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 467 byte(s)
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.

Complete rewrite of spline code and everything that uses it.

Revision 938 - (view) (annotate) - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (19 years, 3 months ago) by gezelter
Original Path: trunk/samples/water/ssde/ssde.md
File length: 500 byte(s)
Diff to previous 790

Many performance improvements

remove deprecated keywords from samples

Revision 718 - (view) (annotate) - [select for diffs]
Modified Tue Nov 8 13:31:08 2005 UTC (19 years, 8 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 515 byte(s)
Diff to previous 639

Just testing...

fixed some samples

Revision 627 - (view) (annotate) - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (19 years, 10 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 502 byte(s)
Diff to previous 523

fixing up some samples

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

Revision 496 - (view) (annotate) - [select for diffs]
Modified Wed Apr 13 23:29:14 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/samples/water/ssde/ssde.md
File length: 495 byte(s)
Diff to previous 431

oops...  bad sample

fixed a bug in MPI restraints

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 10 months ago) by gezelter
Original Path: trunk/samples/water/ssde/ssde.md
File length: 495 byte(s)

Import of OOPSE v. 2.0