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

Revision 1028 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years, 10 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 (19 years ago) by chrisfen
Diff to previous 986

Added tred to sample water.md files

Revision 986 - Directory Listing - [select for diffs]
Modified Wed Jun 7 22:49:26 2006 UTC (19 years, 1 month ago) by chrisfen
Diff to previous 979

damping now works for charge-quadrupole and dipole-dipole

Revision 979 - Directory Listing - [select for diffs]
Modified Thu May 25 21:40:57 2006 UTC (19 years, 2 months ago) by chrisfen
Diff to previous 963

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

Revision 963 - Directory Listing - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 2 months ago) by tim
Diff to previous 942

Adding single precision capabilities to c++ side

Revision 942 - Directory Listing - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (19 years, 3 months 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 (19 years, 7 months ago) by tim
Diff to previous 724

remove deprecated keywords from samples

Revision 724 - Directory Listing - [select for diffs]
Modified Fri Nov 11 15:21:25 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 650

playing with switching functions again

Revision 650 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (19 years, 9 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, 9 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, 10 months ago) by chrisfen
Diff to previous 559

fixing up some samples

Revision 559 - Directory Listing - [select for diffs]
Modified Mon Jun 20 16:03:30 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 519

fixed a bug and ran a simulation

Revision 519 - Directory Listing - [select for diffs]
Modified Fri Apr 29 16:26:27 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 457

Added TIP4P-Ew

Revision 457 - Directory Listing - [select for diffs]
Modified Fri Apr 8 18:48:04 2005 UTC (20 years, 3 months ago) by chrisfen
Diff to previous 455

oops...  messed up a sample

Revision 455 - Directory Listing - [select for diffs]
Modified Fri Apr 8 14:42:27 2005 UTC (20 years, 3 months ago) by chrisfen
Diff to previous 201

changes during debug of charge-dipole

Revision 201 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:20:02 2004 UTC (20 years, 8 months ago) by gezelter
Diff to previous 57

testing force fields

Revision 57 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:58 2004 UTC (20 years, 9 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, 9 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, 10 months ago) by gezelter

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