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

Revision 1028 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 1009 , to selected 736

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 (19 years, 9 months ago) by chrisfen
Diff to previous 979 , to selected 736

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, 11 months ago) by chrisfen
Diff to previous 942 , to selected 736

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 (20 years ago) by chrisfen
Diff to previous 941 , to selected 736

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 (20 years ago) by chrisfen
Diff to previous 878 , to selected 736

Electrosplines added...

Revision 878 - Directory Listing - [select for diffs]
Modified Wed Feb 1 20:54:46 2006 UTC (20 years, 3 months ago) by chrisfen
Diff to previous 790 , to selected 736

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 (20 years, 5 months ago) by tim
Diff to previous 742 , to selected 736

remove deprecated keywords from samples

Revision 742 - Directory Listing - [select for diffs]
Modified Wed Nov 16 19:57:09 2005 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 738 , to selected 736

just some parameters

Revision 738 - Directory Listing - [select for diffs]
Modified Tue Nov 15 19:03:39 2005 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 736

just playing

Revision 736 - Directory Listing - [selected]
Modified Tue Nov 15 16:37:51 2005 UTC (20 years, 5 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 (20 years, 6 months ago) by chrisfen
Diff to previous 715 , to selected 736

Just testing...

Revision 715 - Directory Listing - [select for diffs]
Modified Thu Nov 3 23:11:39 2005 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 693 , to selected 736

mmm...  damped shifted force...

Revision 693 - Directory Listing - [select for diffs]
Modified Sun Oct 23 21:06:42 2005 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 650 , to selected 736

reaction field now works for charges

Revision 650 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 639 , to selected 736

fixing up the samples

Revision 639 - Directory Listing - [select for diffs]
Modified Wed Sep 28 18:47:01 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 627 , to selected 736

fixed some samples

Revision 627 - Directory Listing - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 519 , to selected 736

fixing up some samples

Revision 519 - Directory Listing - [select for diffs]
Modified Fri Apr 29 16:26:27 2005 UTC (21 years ago) by chrisfen
Diff to previous 57 , to selected 736

Added TIP4P-Ew

Revision 57 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:58 2004 UTC (21 years, 6 months ago) by tim
Diff to previous 51 , to selected 736

fix Makefile under water directory

Revision 51 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:04:25 2004 UTC (21 years, 7 months ago) by tim
Diff to previous 2 , to selected 736

add Makefile to sample directory

Revision 2 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 7 months ago) by gezelter
Diff to selected 736

Import of OOPSE v. 2.0

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