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.

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (16 years, 2 months ago) by gezelter
Original Path: trunk/samples/water/ssd/ssd.md
File length: 55974 byte(s)
Diff to previous 1028

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 986 - (view) (annotate) - [select for diffs]
Modified Wed Jun 7 22:49:26 2006 UTC (19 years, 8 months ago) by chrisfen
Original Path: trunk/samples/water/ssd/ssd.md
File length: 463 byte(s)
Diff to previous 963

damping now works for charge-quadrupole and dipole-dipole

Adding single precision capabilities to c++ side

Revision 942 - (view) (annotate) - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (19 years, 9 months ago) by chrisfen
Original Path: trunk/samples/water/ssd/ssd.md
File length: 400 byte(s)
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.

remove deprecated keywords from samples

Revision 724 - (view) (annotate) - [select for diffs]
Modified Fri Nov 11 15:21:25 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/samples/water/ssd/ssd.md
File length: 504 byte(s)
Diff to previous 639

playing with switching functions again

fixed some samples

Revision 627 - (view) (annotate) - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (20 years, 4 months ago) by chrisfen
Original Path: trunk/samples/water/ssd/ssd.md
File length: 453 byte(s)
Diff to previous 559

fixing up some samples

fixed a bug and ran a simulation

Revision 457 - (view) (annotate) - [select for diffs]
Modified Fri Apr 8 18:48:04 2005 UTC (20 years, 10 months ago) by chrisfen
Original Path: trunk/samples/water/ssd/ssd.md
File length: 442 byte(s)
Diff to previous 455

oops...  messed up a sample

changes during debug of charge-dipole

Revision 201 - (view) (annotate) - [select for diffs]
Modified Thu Nov 4 16:20:02 2004 UTC (21 years, 3 months ago) by gezelter
Original Path: trunk/samples/water/ssd/ssd.md
File length: 401 byte(s)
Diff to previous 2

testing force fields

Import of OOPSE v. 2.0