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Revision 1647 - Directory Listing - [select for diffs]
Modified Mon Sep 26 21:20:11 2011 UTC (13 years, 7 months ago) by gezelter
Diff to previous 1618 
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.
Revision 1465 - Directory Listing - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 10 months ago) by chuckv
Diff to previous 1393 
Creating busticated version of OpenMD
Revision 1393 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:36:46 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 1390 
removing spurious cutoffGroup lines from default water.md sample files
Revision 1390 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 1195 
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
Revision 1195 - Directory Listing - [select for diffs]
Modified Thu Dec 6 20:04:02 2007 UTC (17 years, 5 months ago) by cpuglis
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 1146 
Many fixes for Charmm-type torsions.
Revision 1146 - Directory Listing - [select for diffs]
Modified Sat Jun 2 20:53:20 2007 UTC (17 years, 11 months ago) by chuckv
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 1028 
Fixed Makefile problems with the samples and added several missing makefiles.
Revision 1028 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years, 8 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
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
Original Path: trunk/samples/water/tip3p_ice
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
Original Path: trunk/samples/water/tip3p_ice
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
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 790 
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 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/tip3p_ice
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
Original Path: trunk/samples/water/tip3p_ice
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, 7 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
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, 7 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
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, 7 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
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 ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 437 
Added TIP4P-Ew
Revision 437 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:05:16 2005 UTC (20 years, 2 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 431 
added some samples
Revision 431 - Directory Listing - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (20 years, 2 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 423 
fixed a bug in MPI restraints
Revision 423 - Directory Listing - [select for diffs]
Modified Thu Mar 10 19:11:02 2005 UTC (20 years, 2 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 420 
Oops...  MPI now builds...
Revision 420 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:27:16 2005 UTC (20 years, 2 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 419 
fixes to restraints
Revision 419 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:15:13 2005 UTC (20 years, 2 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 417 
fixing restraints
Revision 417 - Directory Listing - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 2 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 230 
First commit of the new restraints code
Revision 230 - Directory Listing - [select for diffs]
Modified Wed Dec 1 19:32:45 2004 UTC (20 years, 5 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 223 
fixed a sample
Revision 223 - Directory Listing - [select for diffs]
Modified Wed Nov 24 18:05:55 2004 UTC (20 years, 5 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 222 
oops...
Revision 222 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:50:17 2004 UTC (20 years, 6 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 220 
Back to normal... Oh... Restraints should work in parallel now
Revision 220 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:47:47 2004 UTC (20 years, 6 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 216 
just some testing changes, I'll return to the original on next commit
Revision 216 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:48:20 2004 UTC (20 years, 6 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 212 
working sample
Revision 212 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:46:02 2004 UTC (20 years, 6 months ago) by chrisfen
Original Path: trunk/samples/water/tip3p_ice
Diff to previous 57 
Fun with ice
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/tip3p_ice
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
Original Path: trunk/samples/water/tip3p_ice
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
Original Path: trunk/samples/water/tip3p_ice 
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