[ViewVC] Log of: group/trunk/OOPSE-4/src/primitives/RigidBody.cpp

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: 15481 byte(s)
Diff to previous 3320

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 3320 - (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 3126

A few formatting changes to prettify the code

Revision 3126 - (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 2759

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 2759 - (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 2625

Adding single precision capabilities to c++ side

Revision 2625 - (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 2582

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

Revision 2582 - (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 2469

fixed a bug in rigid bodies that contain directional atoms

Revision 2469 - (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 2394

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

Revision 2394 - (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 2362

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

Revision 2362 - (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 2348

Don't remember what we did

Revision 2348 - (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 2347

There is still something wrong with inertia tensor projection

Revision 2347 - (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 2345

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

Revision 2345 - (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 2341

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

Revision 2341 - (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 2340

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

Revision 2340 - (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 2335

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

Revision 2335 - (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 2204

Rotation matrix multiplication order error

Revision 2204 - (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 2058

xemacs has been drafted to perform our indentation services

Revision 2058 - (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 2018

reactionfield get fixed

Revision 2018 - (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 2002

begin bug fix

Revision 2002 - (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 1957

adding dynamicProps

Revision 1957 - (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 1937

(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 1937 - (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 1930

port to SGI platform

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: 12448 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: 15961 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: 15928 byte(s)

Import of OOPSE v. 2.0

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