Revision 3520 - Directory Listing - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (14 years, 10 months ago) by cli2
Diff to previous 3432

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 3430 - Directory Listing - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years ago) by cli2
Diff to previous 3397

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

Checking in changes for Hefland moment calculations

Revision 2982 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (17 years, 10 months ago) by tim
Diff to previous 2759

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.

Adding single precision capabilities to c++ side

Revision 2717 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (18 years, 3 months ago) by gezelter
Diff to previous 2678

Many performance improvements

Added check to make sure md file exists.

Revision 2661 - Directory Listing - [select for diffs]
Modified Thu Mar 23 14:59:14 2006 UTC (18 years, 3 months ago) by tim
Diff to previous 2547

Throw exception if the file can not be opened for preprocessing

autoconf modernization and cruft removal

Revision 2513 - Directory Listing - [select for diffs]
Modified Fri Dec 16 02:57:00 2005 UTC (18 years, 7 months ago) by tim
Diff to previous 2509

replace grammar for numerical parsing

fix a nasty negative integer parsing problem by refining the grammar

Revision 2469 - Directory Listing - [select for diffs]
Added Fri Dec 2 15:38:03 2005 UTC (18 years, 7 months ago) by tim

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