[ViewVC] Log of: OpenMD/branches/development/src/restraints/MolecularRestraint.cpp

Revision 1767 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 22:01:58 2012 UTC (12 years, 9 months ago) by gezelter
File length: 7009 byte(s)
Diff to previous 1665

Various fixes required to compile OpenMD with the MS Visual C++ compiler

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Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File length: 7038 byte(s)
Diff to previous 1465

updated copyright notices

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Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
File length: 6972 byte(s)
Diff to previous 1442

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/restraints/MolecularRestraint.cpp
File length: 6972 byte(s)
Diff to previous 1407

Adding property set to svn entries

Revision 1407 - (view) (annotate) - [select for diffs]
Modified Wed Jan 20 16:04:40 2010 UTC (15 years, 3 months ago) by cli2
Original Path: trunk/src/restraints/MolecularRestraint.cpp
File length: 6972 byte(s)
Diff to previous 1390

Fixed bugs in Restraint, refactored RestReader and RestWriter

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/src/restraints/MolecularRestraint.cpp
File length: 7278 byte(s)
Diff to previous 1360

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

Revision 1360 - (view) (annotate) - [select for diffs]
Added Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
Original Path: trunk/src/restraints/MolecularRestraint.cpp
File length: 7236 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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