[ViewVC] Log of: OpenMD/trunk/samples/water/tip3p

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 942

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 942

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

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

Revision 942 - Directory Listing - [selected]
Modified Fri Apr 21 19:32:07 2006 UTC (20 years ago) by chrisfen
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 (20 years, 5 months ago) by tim
Diff to previous 650 , to selected 942

remove deprecated keywords from samples

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 643 , to selected 942

fixing up the samples

Revision 643 - Directory Listing - [select for diffs]
Modified Tue Oct 4 19:32:58 2005 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 639 , to selected 942

just some random changes when testing

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 942

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 942

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 437 , to selected 942

Added TIP4P-Ew

Revision 437 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:05:16 2005 UTC (21 years, 2 months ago) by chrisfen
Diff to previous 431 , to selected 942

added some samples

Revision 431 - Directory Listing - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (21 years, 2 months ago) by chrisfen
Diff to previous 423 , to selected 942

fixed a bug in MPI restraints

Revision 423 - Directory Listing - [select for diffs]
Modified Thu Mar 10 19:11:02 2005 UTC (21 years, 2 months ago) by chrisfen
Diff to previous 420 , to selected 942

Oops...  MPI now builds...

Revision 420 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:27:16 2005 UTC (21 years, 2 months ago) by chrisfen
Diff to previous 419 , to selected 942

fixes to restraints

Revision 419 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:15:13 2005 UTC (21 years, 2 months ago) by chrisfen
Diff to previous 417 , to selected 942

fixing restraints

Revision 417 - Directory Listing - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (21 years, 2 months ago) by chrisfen
Diff to previous 230 , to selected 942

First commit of the new restraints code

Revision 230 - Directory Listing - [select for diffs]
Modified Wed Dec 1 19:32:45 2004 UTC (21 years, 5 months ago) by chrisfen
Diff to previous 223 , to selected 942

fixed a sample

Revision 223 - Directory Listing - [select for diffs]
Modified Wed Nov 24 18:05:55 2004 UTC (21 years, 5 months ago) by chrisfen
Diff to previous 222 , to selected 942

oops...

Revision 222 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:50:17 2004 UTC (21 years, 5 months ago) by chrisfen
Diff to previous 220 , to selected 942

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 (21 years, 5 months ago) by chrisfen
Diff to previous 216 , to selected 942

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 (21 years, 6 months ago) by chrisfen
Diff to previous 212 , to selected 942

working sample

Revision 212 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:46:02 2004 UTC (21 years, 6 months ago) by chrisfen
Diff to previous 57 , to selected 942

Fun with ice

Revision 57 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:58 2004 UTC (21 years, 7 months ago) by tim
Diff to previous 51 , to selected 942

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 942

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 942

Import of OOPSE v. 2.0

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