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

Revision 2069 - (view) (annotate) - [select for diffs]
Modified Thu Mar 5 16:30:23 2015 UTC (10 years, 1 month ago) by gezelter
File length: 4598 byte(s)
Diff to previous 2024

More g++ warning fixes

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: 4645 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: 4267 byte(s)
Diff to previous 1973

Fixes for restraints, renaming of UniformField

Revision 1973 - (view) (annotate) - [select for diffs]
Modified Thu Mar 6 19:34:22 2014 UTC (11 years, 1 month ago) by gezelter
File length: 4203 byte(s)
Diff to previous 1879

Some updates for restraints and fluctuating charges in Ewald

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: 4202 byte(s)
Diff to previous 1782

MERGE OpenMD development 1783:1878 into trunk

Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File length: 4235 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: 4182 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: 4182 byte(s)
Diff to previous 1396

Fixed bugs in Restraint, refactored RestReader and RestWriter

Revision 1396 - (view) (annotate) - [select for diffs]
Modified Sat Dec 5 02:57:05 2009 UTC (15 years, 4 months ago) by gezelter
File length: 4261 byte(s)
Diff to previous 1390

Merging changes skipped in working copies of OOPSE into the OpenMD
tree, fixing make install

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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