Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 11 months ago) by chuckv
File length: 3749 byte(s)
Diff to previous 1393

Adding experimental branch for calculation of the heatflux based on old version of OpenMD.
This will need to be ported to the development branch later.

removing spurious cutoffGroup lines from default water.md sample files

Revision 1009 - (view) (annotate) - [select for diffs]
Modified Wed Jul 19 12:46:20 2006 UTC (19 years, 6 months ago) by chrisfen
Original Path: trunk/samples/water/dimer/water.md
File length: 4164 byte(s)
Diff to previous 979

Added tred to sample water.md files

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

Revision 790 - (view) (annotate) - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (20 years, 1 month ago) by tim
Original Path: trunk/samples/water/dimer/water.md
File length: 3352 byte(s)
Diff to previous 650

remove deprecated keywords from samples

fixing up the samples

Revision 643 - (view) (annotate) - [select for diffs]
Modified Tue Oct 4 19:32:58 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/samples/water/dimer/water.md
File length: 3669 byte(s)
Diff to previous 595

just some random changes when testing

just some testing

Revision 532 - (view) (annotate) - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (20 years, 8 months ago) by chrisfen
Original Path: trunk/samples/water/dimer/water.md
File length: 3069 byte(s)
Diff to previous 455

Modifications to tap.  Also correcting changes to the previous merge that were not caught

changes during debug of charge-dipole

Revision 400 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:05:31 2005 UTC (20 years, 10 months ago) by gezelter
Original Path: trunk/samples/water/dimer/water.md
File length: 3243 byte(s)
Diff to previous 2

making some cool test cases

Import of OOPSE v. 2.0