Revision 3520 - (view) (annotate) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
File length: 33540 byte(s)
Diff to previous 3466

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

many changes to keep track of particle potentials for both bonded and non-bonded interactions

Revision 3397 - (view) (annotate) - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (16 years, 11 months ago) by chuckv
File length: 32405 byte(s)
Diff to previous 3110

Checking in changes for Hefland moment calculations

Changes to add thetacorr to dynamic props and fixes to radial rcorr.

Revision 2982 - (view) (annotate) - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 8 months ago) by tim
File length: 29359 byte(s)
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 2733 - (view) (annotate) - [select for diffs]
Modified Tue Apr 25 02:09:01 2006 UTC (19 years ago) by gezelter
File length: 29098 byte(s)
Diff to previous 2272

Adding spherical boundary conditions to LD integrator

putting spaceballs back where they belong

Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 28096 byte(s)
Diff to previous 2018

xemacs has been drafted to perform our indentation services

begin bug fix

Revision 1930 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
File length: 30860 byte(s)
Diff to previous 1709

merging new_design branch into OOPSE-2.0

isLinear and linearAxis are virtual in StuntDouble,
but are implemented by DirectionalAtom and RigidBody
In StuntDouble, they should return false and "-1" but
there should be logic to figure them out in the other
two classes

Revision 1698 - (view) (annotate) - [select for diffs]
Modified Tue Nov 2 15:28:25 2004 UTC (20 years, 6 months ago) by chrisfen
File length: 2181 byte(s)
Diff to previous 1625

Shapes looks like it's working

replace old GebericData with  new GenericData

Revision 1492 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
File length: 2150 byte(s)
Diff to previous 1490

change the #include in source files

Import of OOPSE v. 2.0