Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 10 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, 4 months ago) by chrisfen
Original Path: trunk/samples/thermoIntegration/liquid/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 ago) by tim
Original Path: trunk/samples/thermoIntegration/liquid/water.md
File length: 2710 byte(s)
Diff to previous 437

remove deprecated keywords from samples

added some samples