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: 50588 byte(s)
Diff to previous 1277 , to selected 770

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, 10 months ago) by cli2
File length: 47135 byte(s)
Diff to previous 814 , to selected 770

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: 48999 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