CLearing out some memory leaks
First pass at angular momentum aware version of VSS-RNEMD.
Fixed a widespread typo in the license
updated copyright notices
Merging changes from old branch into development branch
Creating busticated version of OpenMD
Adding property set to svn entries
Adding a hull finder to the selection syntax
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
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
support '+' and '-' in atom type name;clean the code a little bit
clean up SimInfo; modify the images of SelectionExpression.html
adding typedef to TokenMap, using TokenMapType::value_type instead of std::make_pair to make Sun compiler happy
selection library is working
more work in selection library
selection library in progress, except SelectionEvaluator, other files are compiled
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