[ViewVC] Log of: group/trunk/OOPSE-4/src/primitives/Molecule.hpp

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: 12090 byte(s)
Diff to previous 3430

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 3430 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 9 months ago) by cli2
File length: 10967 byte(s)
Diff to previous 3320

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

Revision 3320 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 16:38:22 2008 UTC (17 years, 3 months ago) by gezelter
File length: 10267 byte(s)
Diff to previous 2759

A few formatting changes to prettify the code

Revision 2759 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
File length: 10101 byte(s)
Diff to previous 2204

Adding single precision capabilities to c++ side

Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 10097 byte(s)
Diff to previous 1989

xemacs has been drafted to perform our indentation services

Revision 1989 - (view) (annotate) - [select for diffs]
Modified Mon Feb 7 22:39:19 2005 UTC (20 years, 2 months ago) by tim
File length: 10958 byte(s)
Diff to previous 1973

add getRigidBodyAt  function into Molecule class

Revision 1973 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:41:23 2005 UTC (20 years, 2 months ago) by tim
File length: 10806 byte(s)
Diff to previous 1943

adding missing implementation

Revision 1943 - (view) (annotate) - [select for diffs]
Modified Fri Jan 14 01:56:04 2005 UTC (20 years, 3 months ago) by tim
File length: 10712 byte(s)
Diff to previous 1930

fix a bug in global index

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: 10710 byte(s)
Diff to previous 1492

merging new_design branch into OOPSE-2.0

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: 3741 byte(s)
Diff to previous 1490

change the #include in source files

Revision 1490 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
File length: 3691 byte(s)

Import of OOPSE v. 2.0

Convenience Links

Links to HEAD: (view) (annotate)

Compare Revisions

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

	Diffs between and
	Type of Diff should be a