* Changed the stdDev printouts in RNEMD stats to the 95% confidence intervals
* Added the ability to specify non-bonded constraints in a molecule
* Added the ability to do selection offsets in the pAngle staticProps module

Revision 1902 - (view) (annotate) - [select for diffs]
Modified Tue Jul 16 17:16:45 2013 UTC (11 years, 9 months ago) by gezelter
File length: 45280 byte(s)
Diff to previous 1782

Added a satellites keyword to the inversion block.

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1558 - (view) (annotate) - [select for diffs]
Modified Wed May 11 16:32:48 2011 UTC (13 years, 11 months ago) by gezelter
File length: 39188 byte(s)
Diff to previous 1442

Updated antlr, some minor formatting changes

Adding property set to svn entries

Revision 1360 - (view) (annotate) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
File length: 39188 byte(s)
Diff to previous 1277

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

Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.

Revision 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 9 months ago) by cli2
File length: 38099 byte(s)
Diff to previous 814

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

replace grammar for numerical parsing

Revision 810 - (view) (annotate) - [select for diffs]
Modified Wed Dec 14 18:02:28 2005 UTC (19 years, 4 months ago) by tim
File length: 35008 byte(s)
Diff to previous 770

fix a nasty negative integer parsing problem by refining the grammar

End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser