Revision 1682 - (view) (annotate) - [select for diffs]
Modified Tue Feb 28 23:11:22 2012 UTC (13 years, 11 months ago) by chuckv
File length: 56242 byte(s)
Diff to previous 1670

Debugging heat flux calculation for rigid bodies.

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/spce/spce.md
File length: 56089 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 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/spce/spce.md
File length: 535 byte(s)
Diff to previous 941

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.

Electrosplines added...

Revision 878 - (view) (annotate) - [select for diffs]
Modified Wed Feb 1 20:54:46 2006 UTC (20 years ago) by chrisfen
Original Path: trunk/samples/water/spce/spce.md
File length: 576 byte(s)
Diff to previous 790

Changes to cutoff radius setting to a more logical procedure - still may change...

remove deprecated keywords from samples

Revision 742 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 19:57:09 2005 UTC (20 years, 2 months ago) by chrisfen
Original Path: trunk/samples/water/spce/spce.md
File length: 617 byte(s)
Diff to previous 738

just some parameters

just playing

Revision 736 - (view) (annotate) - [select for diffs]
Modified Tue Nov 15 16:37:51 2005 UTC (20 years, 2 months ago) by chrisfen
Original Path: trunk/samples/water/spce/spce.md
File length: 630 byte(s)
Diff to previous 718

just playing around - we need to refresh all the samples sometime soon...

Just testing...

Revision 715 - (view) (annotate) - [select for diffs]
Modified Thu Nov 3 23:11:39 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/samples/water/spce/spce.md
File length: 571 byte(s)
Diff to previous 693

mmm...  damped shifted force...

reaction field now works for charges

Revision 639 - (view) (annotate) - [select for diffs]
Modified Wed Sep 28 18:47:01 2005 UTC (20 years, 4 months ago) by chrisfen
Original Path: trunk/samples/water/spce/spce.md
File length: 504 byte(s)
Diff to previous 627

fixed some samples

fixing up some samples

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 4 months ago) by gezelter
Original Path: trunk/samples/water/spce/spce.md
File length: 494 byte(s)

Import of OOPSE v. 2.0