Revision 2056 - (view) (annotate) - [select for diffs]
Modified Fri Feb 20 15:12:07 2015 UTC (10 years, 2 months ago) by gezelter
File length: 7592 byte(s)
Diff to previous 2052

Fixes to HullFinder (and by extension to RNEMD) for getSurfaceArea() call.
Adding Multipass Correlation Function (unused right now).

Updating Hydrogen Bonding structures, and selection syntax to include molecule selections:

Revision 1953 - (view) (annotate) - [select for diffs]
Modified Thu Dec 5 18:19:26 2013 UTC (11 years, 4 months ago) by gezelter
File length: 7403 byte(s)
Diff to previous 1903

Rewrote much of selection module, added a bond correlation function

Test to see if we can eliminate a bug in MPI runs involving RNEMD.

Revision 1880 - (view) (annotate) - [select for diffs]
Modified Mon Jun 17 18:28:30 2013 UTC (11 years, 10 months ago) by gezelter
File length: 5916 byte(s)
Diff to previous 1879

Preparing for official 2.1 release (clean-up)

MERGE OpenMD development 1783:1878 into trunk

Revision 1816 - (view) (annotate) - [select for diffs]
Modified Fri Dec 7 18:33:33 2012 UTC (12 years, 4 months ago) by gezelter
File length: 6089 byte(s)
Diff to previous 1801

Updated selections to be frame-addressable (to support selection correlation
function).  

Some parallel fixes for "select all" selection scripts.  The distance finder
selection, e.g. "select within(4.0, Au)", still needs work, however.

Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File length: 4668 byte(s)
Diff to previous 1442

MERGE OpenMD development branch 1465:1781 into trunk

Adding property set to svn entries

Revision 1439 - (view) (annotate) - [select for diffs]
Modified Thu Apr 22 19:44:57 2010 UTC (15 years ago) by chuckv
File length: 4679 byte(s)
Diff to previous 1438

Fixed a bug where any program using selection syntax without qhull would fail. We only do a is fatal now if you try to use hullfinder.

Added a build define to check for libqhull before trying to build hullfinder.

Revision 1412 - (view) (annotate) - [select for diffs]
Added Mon Mar 22 18:45:39 2010 UTC (15 years, 1 month ago) by gezelter
File length: 4383 byte(s)

Adding a hull finder to the selection syntax