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

Revision 1459 - (view) (annotate) - [select for diffs]
Modified Tue Jul 6 21:23:46 2010 UTC (14 years, 9 months ago) by gezelter
File length: 4064 byte(s)
Diff to previous 1446

Fixed a potentially serious bug in GhostBend and GhostTorsion.  We
were using A instead of A.transpose() where we need lab-frame
coordinates of the body-fixed axis.

Revision 1446 - (view) (annotate) - [select for diffs]
Modified Thu Jun 17 14:48:02 2010 UTC (14 years, 10 months ago) by gezelter
File length: 4052 byte(s)
Diff to previous 1443

Fixed a bug in Torsion (and GhostTorsion) which is triggered by
a configuration with colinear atoms.  The problem was discovered by
Brett Donovan.   Thanks, Brett!

Revision 1443 - (view) (annotate) - [select for diffs]
Modified Thu May 27 14:17:39 2010 UTC (14 years, 11 months ago) by gezelter
File length: 3818 byte(s)
Diff to previous 1442

Fixed a potential bug.  If Ghost atoms have no electroFrame
(i.e. if they are DirectionalAtoms, but not dipoles), the GhostBend
and GhostTorsions would give nans.   We should be using getA instead
of getElectroFrame.

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: 3829 byte(s)
Diff to previous 1390

Adding property set to svn entries

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: 3829 byte(s)
Diff to previous 1309

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

Revision 1309 - (view) (annotate) - [select for diffs]
Modified Tue Oct 21 18:23:31 2008 UTC (16 years, 6 months ago) by gezelter
File length: 3787 byte(s)
Diff to previous 1211

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

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: 3663 byte(s)
Diff to previous 963

A few formatting changes to prettify the code

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: 3589 byte(s)
Diff to previous 749

Adding single precision capabilities to c++ side

Revision 749 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 23:10:02 2005 UTC (19 years, 5 months ago) by tim
File length: 3577 byte(s)
Diff to previous 507

OptionSectionParser get compiled

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 3600 byte(s)
Diff to previous 275

xemacs has been drafted to perform our indentation services

Revision 275 - (view) (annotate) - [select for diffs]
Modified Wed Jan 26 15:15:09 2005 UTC (20 years, 3 months ago) by tim
File length: 3604 byte(s)
Diff to previous 273

(1)Cast wrong atom to DirectionalAtom in GhostTorsion
(2)get the wrong column of electroframe

Revision 273 - (view) (annotate) - [select for diffs]
Added Tue Jan 25 17:45:23 2005 UTC (20 years, 3 months ago) by tim
File length: 3604 byte(s)

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

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