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

Revision 2024 - (view) (annotate) - [select for diffs]
Modified Thu Oct 16 19:13:51 2014 UTC (10 years, 6 months ago) by gezelter
File length: 7047 byte(s)
Diff to previous 2020

Added Radial and Z-projected velocity autocorrelation functions
Started to add SequentialProps program
Mucking about with angular restraint potentials

Revision 2020 - (view) (annotate) - [select for diffs]
Modified Mon Sep 22 19:18:35 2014 UTC (10 years, 7 months ago) by gezelter
File length: 7074 byte(s)
Diff to previous 1879

Fixes for restraints, renaming of UniformField

Revision 1879 - (view) (annotate) - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (11 years, 10 months ago) by gezelter
File length: 7010 byte(s)
Diff to previous 1782

MERGE OpenMD development 1783:1878 into trunk

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Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File length: 7009 byte(s)
Diff to previous 1442

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
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
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
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
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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