Creating busticated version of OpenMD

Revision 1405 - (view) (annotate) - [select for diffs]
Modified Tue Jan 19 22:33:57 2010 UTC (15 years, 4 months ago) by gezelter
Original Path: trunk/samples/SMIPD/spce_cluster.md
File length: 884932 byte(s)
Copied from: trunk/samples/SMIPD/water/spce_cluster.md revision 1404
Diff to previous 1403

Fixing the build and install method for samples in Madelung, RNEMD,
zeolite, SMIPD

Install bugs, tweaks of samples

Revision 1402 - (view) (annotate) - [select for diffs]
Modified Fri Jan 8 17:15:27 2010 UTC (15 years, 4 months ago) by chuckv
Original Path: trunk/samples/SMIPD/water/spce_cluster.md
File length: 884990 byte(s)
Diff to previous 1390

Added preliminary code for Alpha Hull calculation using qhull.
Added preliminary support to SMIPD to support Alpha Hull.
Alpha Hull does not yet add the correct things to triangle to be returned to SMPID. 
Preliminary changes for shadow hamiltonian integrator.
Chages to md files so they will work in openMD. 

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

Revision 1359 - (view) (annotate) - [select for diffs]
Modified Tue Aug 25 14:54:38 2009 UTC (15 years, 9 months ago) by chuckv
Original Path: trunk/samples/SMIPD/water/spce_cluster.md
File length: 885037 byte(s)
Diff to previous 1326

Relaxed structure at low T to be not so high up on the PE wall.

Adding samples for SMIPD.