[ViewVC] Log of: OpenMD/trunk/src/primitives/RigidBody.cpp

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: 15602 byte(s)
Diff to previous 1424

Adding property set to svn entries

Revision 1424 - (view) (annotate) - [select for diffs]
Modified Tue Mar 30 15:05:38 2010 UTC (15 years, 1 month ago) by gezelter
File length: 15602 byte(s)
Diff to previous 1390

Fixing gradients for minimization

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File length: 15525 byte(s)
Diff to previous 1360

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: 15481 byte(s)
Diff to previous 1211

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 1211 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 16:38:22 2008 UTC (17 years, 3 months ago) by gezelter
File length: 15478 byte(s)
Diff to previous 1126

A few formatting changes to prettify the code

Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years ago) by gezelter
File length: 15353 byte(s)
Diff to previous 963

Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
File length: 14155 byte(s)
Diff to previous 899

Adding single precision capabilities to c++ side

Revision 899 - (view) (annotate) - [select for diffs]
Modified Wed Mar 15 17:35:12 2006 UTC (19 years, 1 month ago) by tim
File length: 14143 byte(s)
Diff to previous 882

using setFrc in RigidBody::calcForcesAndTorques will discard if there are force and torque applied in rigid body itself. use addFrc instead.

Revision 882 - (view) (annotate) - [select for diffs]
Modified Thu Feb 2 16:49:16 2006 UTC (19 years, 3 months ago) by gezelter
File length: 14143 byte(s)
Diff to previous 770

fixed a bug in rigid bodies that contain directional atoms

Revision 770 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
File length: 14290 byte(s)
Diff to previous 695

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

Revision 695 - (view) (annotate) - [select for diffs]
Modified Sun Oct 23 21:08:08 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 14274 byte(s)
Diff to previous 663

streamlined reaction field for dipoles (now a good bit faster) and added reaction field for charges - still need to do charge-dipole RF

Revision 663 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 21:00:59 2005 UTC (19 years, 6 months ago) by gezelter
File length: 14268 byte(s)
Diff to previous 649

Don't remember what we did

Revision 649 - (view) (annotate) - [select for diffs]
Modified Wed Oct 5 21:12:41 2005 UTC (19 years, 6 months ago) by tim
File length: 14231 byte(s)
Diff to previous 648

There is still something wrong with inertia tensor projection

Revision 648 - (view) (annotate) - [select for diffs]
Modified Wed Oct 5 19:35:28 2005 UTC (19 years, 6 months ago) by tim
File length: 14254 byte(s)
Diff to previous 646

erase output of inertia tensor. There is still something wrong with current implementation.

Revision 646 - (view) (annotate) - [select for diffs]
Modified Wed Oct 5 19:12:02 2005 UTC (19 years, 6 months ago) by tim
File length: 14343 byte(s)
Diff to previous 642

fix a bug in creating cutoffGroup. When cutoffGroup is turned off, there is a mismatch between group and center of mass array

Revision 642 - (view) (annotate) - [select for diffs]
Modified Mon Oct 3 15:54:23 2005 UTC (19 years, 7 months ago) by tim
File length: 14271 byte(s)
Diff to previous 641

fix a bug in projecting the inertia tensor of
directional atom in rigibody into rigidbody's body frame (previous commit is wrong)

Revision 641 - (view) (annotate) - [select for diffs]
Modified Mon Oct 3 14:31:31 2005 UTC (19 years, 7 months ago) by tim
File length: 14235 byte(s)
Diff to previous 636

fix a bug in projecting the inertia tensor of directional atom in rigibody into rigidbody's body frame

Revision 636 - (view) (annotate) - [select for diffs]
Modified Wed Sep 28 16:32:44 2005 UTC (19 years, 7 months ago) by gezelter
File length: 14331 byte(s)
Diff to previous 507

Rotation matrix multiplication order error

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 14362 byte(s)
Diff to previous 374

xemacs has been drafted to perform our indentation services

Revision 374 - (view) (annotate) - [select for diffs]
Modified Tue Feb 22 18:56:25 2005 UTC (20 years, 2 months ago) by tim
File length: 14826 byte(s)
Diff to previous 334

reactionfield get fixed

Revision 334 - (view) (annotate) - [select for diffs]
Modified Mon Feb 14 17:57:01 2005 UTC (20 years, 2 months ago) by tim
File length: 14702 byte(s)
Diff to previous 318

begin bug fix

Revision 318 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 06:57:48 2005 UTC (20 years, 2 months ago) by tim
File length: 14695 byte(s)
Diff to previous 273

adding dynamicProps

Revision 273 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 3 months ago) by tim
File length: 12877 byte(s)
Diff to previous 253

(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor

Revision 253 - (view) (annotate) - [select for diffs]
Modified Thu Jan 13 19:40:37 2005 UTC (20 years, 3 months ago) by tim
File length: 12466 byte(s)
Diff to previous 246

port to SGI platform

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: 12448 byte(s)
Diff to previous 3

merging new_design branch into OOPSE-2.0

Revision 3 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
File length: 15961 byte(s)
Diff to previous 2

change the #include in source files

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
File length: 15928 byte(s)

Import of OOPSE v. 2.0

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