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Revision 3520 - Directory Listing - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (16 years, 2 months ago) by cli2
Diff to previous 3432 , to selected 2661 
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
Revision 3432 - Directory Listing - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (17 years, 4 months ago) by gezelter
Diff to previous 3430 , to selected 2661 
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 (17 years, 4 months ago) by cli2
Diff to previous 3397 , to selected 2661 
Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...
Revision 3397 - Directory Listing - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (17 years, 6 months ago) by chuckv
Diff to previous 2982 , to selected 2661 
Checking in changes for Hefland moment calculations
Revision 2982 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (19 years, 2 months ago) by tim
Diff to previous 2759 , to selected 2661 
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.
Revision 2759 - Directory Listing - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 6 months ago) by tim
Diff to previous 2717 , to selected 2661 
Adding single precision capabilities to c++ side
Revision 2717 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (19 years, 7 months ago) by gezelter
Diff to previous 2678 , to selected 2661 
Many performance improvements
Revision 2678 - Directory Listing - [select for diffs]
Modified Wed Mar 29 22:24:59 2006 UTC (19 years, 7 months ago) by chuckv
Diff to previous 2661 
Added check to make sure md file exists.
Revision 2661 - Directory Listing - [selected]
Modified Thu Mar 23 14:59:14 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2547 
Throw exception if the file can not be opened for preprocessing
Revision 2547 - Directory Listing - [select for diffs]
Modified Wed Jan 11 23:06:08 2006 UTC (19 years, 10 months ago) by gezelter
Diff to previous 2513 , to selected 2661 
autoconf modernization and cruft removal
Revision 2513 - Directory Listing - [select for diffs]
Modified Fri Dec 16 02:57:00 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 2509 , to selected 2661 
replace grammar for numerical parsing
Revision 2509 - Directory Listing - [select for diffs]
Modified Wed Dec 14 18:02:28 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 2469 , to selected 2661 
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 (19 years, 11 months ago) by tim
Diff to selected 2661 
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

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