Revision 1820 - Directory Listing - [select for diffs]
Modified Tue Dec 18 16:23:13 2012 UTC (12 years, 5 months ago) by gezelter
Diff to previous 1647

New electrostatic bug fixes.

fixing the build system

Revision 1618 - Directory Listing - [select for diffs]
Modified Mon Sep 12 17:09:26 2011 UTC (13 years, 8 months ago) by gezelter
Diff to previous 1465

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

Creating busticated version of OpenMD

Revision 1393 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:36:46 2009 UTC (15 years, 6 months ago) by gezelter
Original Path: trunk/samples/water/ssde
Diff to previous 1390

removing spurious cutoffGroup lines from default water.md sample files

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

Revision 1146 - Directory Listing - [select for diffs]
Modified Sat Jun 2 20:53:20 2007 UTC (18 years ago) by chuckv
Original Path: trunk/samples/water/ssde
Diff to previous 1028

Fixed Makefile problems with the samples and added several missing makefiles.

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
Original Path: trunk/samples/water/ssde
Diff to previous 1009

starting change of file formats

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
Original Path: trunk/samples/water/ssde
Diff to previous 942

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

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, 1 month ago) by gezelter
Original Path: trunk/samples/water/ssde
Diff to previous 938

Complete rewrite of spline code and everything that uses it.

Many performance improvements

Revision 790 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (19 years, 5 months ago) by tim
Original Path: trunk/samples/water/ssde
Diff to previous 718

remove deprecated keywords from samples

Just testing...

Revision 650 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (19 years, 7 months ago) by chrisfen
Original Path: trunk/samples/water/ssde
Diff to previous 639

fixing up the samples

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
Original Path: trunk/samples/water/ssde
Diff to previous 524

fixing up some samples

Changed SHED to TAP

Revision 523 - Directory Listing - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years ago) by chrisfen
Original Path: trunk/samples/water/ssde
Diff to previous 519

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

Added TIP4P-Ew

Revision 496 - Directory Listing - [select for diffs]
Modified Wed Apr 13 23:29:14 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/samples/water/ssde
Diff to previous 431

oops...  bad sample

fixed a bug in MPI restraints

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

fix Makefile under water directory

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
Original Path: trunk/samples/water/ssde

Import of OOPSE v. 2.0