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: 5275 byte(s)
Diff to previous 507

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

xemacs has been drafted to perform our indentation services

Revision 452 - (view) (annotate) - [select for diffs]
Modified Tue Apr 5 23:09:48 2005 UTC (20 years ago) by tim
File length: 5002 byte(s)
Diff to previous 432

support '+' and '-' in atom type name;clean the code a little bit

clean up SimInfo; modify the images of SelectionExpression.html

Revision 349 - (view) (annotate) - [select for diffs]
Modified Tue Feb 15 17:35:30 2005 UTC (20 years, 2 months ago) by tim
File length: 5714 byte(s)
Diff to previous 295

adding typedef to TokenMap, using TokenMapType::value_type instead of
std::make_pair to make Sun compiler happy

selection library is working

Revision 283 - (view) (annotate) - [select for diffs]
Modified Thu Feb 3 23:14:05 2005 UTC (20 years, 2 months ago) by tim
File length: 5288 byte(s)
Diff to previous 281

more work in selection library

selection library in progress, except SelectionEvaluator, other files are compiled