Fixed a clang compilation problem, added the ability to output
particle potential in the dump files.

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
File length: 18561 byte(s)
Diff to previous 1390

Adding property set to svn entries

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Revision 1360 - (view) (annotate) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
File length: 18514 byte(s)
Diff to previous 963

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

Adding single precision capabilities to c++ side

Revision 895 - (view) (annotate) - [select for diffs]
Modified Mon Mar 13 22:42:40 2006 UTC (19 years, 1 month ago) by tim
File length: 18463 byte(s)
Diff to previous 891

LangevinDynamics in progress

Adding Hydrodynamics Module

Revision 883 - (view) (annotate) - [select for diffs]
Modified Thu Feb 2 17:14:15 2006 UTC (19 years, 3 months ago) by tim
File length: 16634 byte(s)
Diff to previous 637

adding transpose into SquareMatrix3; fix a bug in AtomStamp where orientation is not set correctly.

using epsilon instead of 0.0 to avoid divergence in rotation matrix to quaternion transformation

Revision 633 - (view) (annotate) - [select for diffs]
Modified Tue Sep 27 20:02:57 2005 UTC (19 years, 7 months ago) by tim
File length: 16358 byte(s)
Diff to previous 507

fix a bug in convert rotation matrix to quaternion

xemacs has been drafted to perform our indentation services

Revision 451 - (view) (annotate) - [select for diffs]
Modified Tue Mar 29 21:00:54 2005 UTC (20 years, 1 month ago) by tim
File length: 19849 byte(s)
Diff to previous 385

fix a bug in converting rotation matrix to quaternion

fix compilation problem for g++ 3.4

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
File length: 19128 byte(s)
Diff to previous 151

merging new_design branch into OOPSE-2.0

add getArray function to  RectMatrix and Vector classes

Revision 137 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 21:31:39 2004 UTC (20 years, 6 months ago) by tim
File length: 16427 byte(s)
Diff to previous 123

Snapshot and SnapshotManager in progress

Math library pass the unit test

Revision 113 - (view) (annotate) - [select for diffs]
Modified Tue Oct 19 23:01:03 2004 UTC (20 years, 6 months ago) by tim
File length: 15612 byte(s)
Diff to previous 101

except diagonalize(), all of functions in math library pass the test

more tests on math library

Revision 99 - (view) (annotate) - [select for diffs]
Modified Mon Oct 18 17:07:27 2004 UTC (20 years, 6 months ago) by tim
File length: 9645 byte(s)
Diff to previous 93

fix some bugs in Quaternion class

math library in progress

Revision 76 - (view) (annotate) - [select for diffs]
Modified Thu Oct 14 23:28:09 2004 UTC (20 years, 6 months ago) by tim
File length: 3788 byte(s)
Diff to previous 70

math library in progress

refactory vector and matrix classes