Revision
1398 -
Directory Listing
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Modified
Tue Dec 8 22:17:02 2009 UTC
(15 years, 11 months ago)
by
gezelter
Diff to
previous 1396
,
to
selected 1390
Parallel bugfix in RestraintForceManager
Reverted back to hydrodynamics on triangular plates for SMIPDForceManager
Removed thermalLength and thermalConductivity keywords from Globals.
Bug tracking in openmdformat (not yet resolved).
Revision
1390 -
Directory Listing
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[selected]
Modified
Wed Nov 25 20:02:06 2009 UTC
(16 years ago)
by
gezelter
Diff to
previous 1366
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
Revision
1360 -
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Modified
Mon Sep 7 16:31:51 2009 UTC
(16 years, 2 months ago)
by
cli2
Diff to
previous 1225
,
to
selected 1390
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