Revision 1877 - (view) (annotate) - [select for diffs]
Modified Thu Jun 6 15:43:35 2013 UTC (11 years, 11 months ago) by gezelter
File length: 8477 byte(s)
Diff to previous 1798

New electrostatic method, starting to do some performance tuning.

Merged trunk changes into the development branch

Revision 1701 - (view) (annotate) - [select for diffs]
Modified Thu Apr 5 19:37:58 2012 UTC (13 years, 1 month ago) by kstocke1
File length: 6640 byte(s)
Diff to previous 1646

Added files for fcc and pentagonal nanorod builders. Updated runMe in samples/builders to include nanorod builders.

update for cmake build and install

Revision 1528 - (view) (annotate) - [select for diffs]
Modified Fri Dec 17 20:11:05 2010 UTC (14 years, 4 months ago) by gezelter
File length: 6475 byte(s)
Diff to previous 1465

Doesn't build yet, but getting much closer...

Creating busticated version of OpenMD

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/applications/utilities/principalAxisCalculator
File length: 6174 byte(s)
Diff to previous 1390

Adding property set to svn entries

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

Revision 1360 - (view) (annotate) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
Original Path: trunk/src/applications/utilities/principalAxisCalculator
File length: 6201 byte(s)
Diff to previous 1189

Added new restraint infrastructure
Added MolecularRestraints
Added ObjectRestraints
Added RestraintStamp
Updated thermodynamic integration to use ObjectRestraints
Added Quaternion mathematics for twist swing decompositions
Significantly updated RestWriter and RestReader to use dump-like files
Added selections for x, y, and z coordinates of atoms
Removed monolithic Restraints class
Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody
Added some rotational capabilities to prinicpalAxisCalculator

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