[ViewVC] Log of: OpenMD/trunk/src/restraints/ObjectRestraint.cpp

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File length: 4261 byte(s)
Diff to previous 1364

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

Revision 1364 - (view) (annotate) - [select for diffs]
Modified Wed Oct 7 20:49:50 2009 UTC (15 years, 6 months ago) by cli2
File length: 4219 byte(s)
Diff to previous 1360

Bug fixes in the SelectionEvaluator and SelectionCompiler
Added print option in Restraints

Revision 1360 - (view) (annotate) - [select for diffs]
Added Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
File length: 4232 byte(s)

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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