Creating busticated version of OpenMD

Revision 1393 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:36:46 2009 UTC (15 years, 8 months ago) by gezelter
Original Path: trunk/samples/water/ssd-ion
Diff to previous 1390

removing spurious cutoffGroup lines from default water.md sample files

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

Revision 1157 - Directory Listing - [select for diffs]
Modified Thu Jul 12 17:08:14 2007 UTC (18 years ago) by gezelter
Original Path: trunk/samples/water/ssd-ion
Diff to previous 1146

Broken files on install

Fixed Makefile problems with the samples and added several missing makefiles.

Revision 1028 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years, 10 months ago) by chrisfen
Original Path: trunk/samples/water/ssd-ion
Diff to previous 1009

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Added tred to sample water.md files

Revision 979 - Directory Listing - [select for diffs]
Modified Thu May 25 21:40:57 2006 UTC (19 years, 2 months ago) by chrisfen
Original Path: trunk/samples/water/ssd-ion
Diff to previous 959

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

electrostatic refinement

Revision 942 - Directory Listing - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (19 years, 3 months ago) by chrisfen
Original Path: trunk/samples/water/ssd-ion
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 650 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (19 years, 9 months ago) by chrisfen
Original Path: trunk/samples/water/ssd-ion
Diff to previous 639

fixing up the samples

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
Original Path: trunk/samples/water/ssd-ion
Diff to previous 519

fixing up some samples

Added TIP4P-Ew

Revision 503 - Directory Listing - [select for diffs]
Modified Fri Apr 15 18:33:03 2005 UTC (20 years, 3 months ago) by tim
Original Path: trunk/samples/water/ssd-ion
Diff to previous 477

some samples are not installed correctly

added quadrupole sample