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: 3633 byte(s)
Diff to previous 1104

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

Adding the ability to compute Center of Mass properties on
reading in a dump file.  DumpReader must be told if it needs
to do this, however.

Revision 1024 - (view) (annotate) - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 8 months ago) by tim
File length: 3507 byte(s)
Diff to previous 721

Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.

Added a keyword and ability to output forces and torques

Revision 619 - (view) (annotate) - [select for diffs]
Modified Wed Sep 21 20:59:31 2005 UTC (19 years, 7 months ago) by tim
File length: 3597 byte(s)
Diff to previous 507

DumpReader using pure c++ io

xemacs has been drafted to perform our indentation services

Revision 318 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 06:57:48 2005 UTC (20 years, 2 months ago) by tim
File length: 3557 byte(s)
Diff to previous 246

adding dynamicProps

merging new_design branch into OOPSE-2.0