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

Revision 1879 - Directory Listing - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (12 years ago) by gezelter
Diff to previous 1790

MERGE OpenMD development 1783:1878 into trunk

Revision 1790 - Directory Listing - [select for diffs]
Modified Thu Aug 30 17:18:22 2012 UTC (12 years, 9 months ago) by gezelter
Diff to previous 1782

Various Windows compilation fixes

Revision 1782 - Directory Listing - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 9 months ago) by gezelter
Diff to previous 1393

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1393 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:36:46 2009 UTC (15 years, 6 months ago) by gezelter
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, 6 months ago) by gezelter
Diff to previous 1146

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
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, 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, 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 941

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 941 - Directory Listing - [select for diffs]
Modified Fri Apr 21 03:19:52 2006 UTC (19 years, 2 months ago) by chrisfen
Diff to previous 878

Electrosplines added...

Revision 878 - Directory Listing - [select for diffs]
Modified Wed Feb 1 20:54:46 2006 UTC (19 years, 4 months ago) by chrisfen
Diff to previous 790

Changes to cutoff radius setting to a more logical procedure - still may change...

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 742

remove deprecated keywords from samples

Revision 742 - Directory Listing - [select for diffs]
Modified Wed Nov 16 19:57:09 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 738

just some parameters

Revision 738 - Directory Listing - [select for diffs]
Modified Tue Nov 15 19:03:39 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 736

just playing

Revision 736 - Directory Listing - [select for diffs]
Modified Tue Nov 15 16:37:51 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 718

just playing around - we need to refresh all the samples sometime soon...

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 715

Just testing...

Revision 715 - Directory Listing - [select for diffs]
Modified Thu Nov 3 23:11:39 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 693

mmm...  damped shifted force...

Revision 693 - Directory Listing - [select for diffs]
Modified Sun Oct 23 21:06:42 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 650

reaction field now works for charges

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 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, 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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