[ViewVC] Log of: OpenMD/branches/development/src/primitives/DirectionalAtom.cpp

Revision 1838 - (view) (annotate) - [select for diffs]
Modified Tue Jan 22 16:20:11 2013 UTC (12 years, 3 months ago) by gezelter
File length: 6434 byte(s)
Diff to previous 1798 , to selected 642

Unified the computation of storageLayout into SimCreator, but that
value is stored in SimInfo.  We used to compute storageLayout values
in two places - now only one.

Revision 1798 - (view) (annotate) - [select for diffs]
Modified Thu Sep 13 14:10:11 2012 UTC (12 years, 7 months ago) by gezelter
File length: 6441 byte(s)
Diff to previous 1787 , to selected 642

Merged trunk changes into the development branch

Revision 1787 - (view) (annotate) - [select for diffs]
Modified Wed Aug 29 18:13:11 2012 UTC (12 years, 8 months ago) by gezelter
File length: 6422 byte(s)
Diff to previous 1710 , to selected 642

Massive multipole rewrite

Revision 1710 - (view) (annotate) - [select for diffs]
Modified Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
File length: 5691 byte(s)
Diff to previous 1665 , to selected 642

Added an adapter layer between the AtomType and the rest of the code to 
handle the bolt-on capabilities of new types. 

Fixed a long-standing bug in how storageLayout was being set to the maximum
possible value.

Started to add infrastructure for Polarizable and fluc-Q calculations.

Revision 1665 - (view) (annotate) - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File length: 5556 byte(s)
Diff to previous 1465 , to selected 642

updated copyright notices

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
File length: 5490 byte(s)
Diff to previous 1442 , to selected 642

Creating busticated version of OpenMD

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5490 byte(s)
Diff to previous 1424 , to selected 642

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
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5490 byte(s)
Diff to previous 1390 , to selected 642

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
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5414 byte(s)
Diff to previous 1360 , to selected 642

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
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5370 byte(s)
Diff to previous 1211 , to selected 642

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
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5367 byte(s)
Diff to previous 963 , to selected 642

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
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5284 byte(s)
Diff to previous 663 , to selected 642

Adding single precision capabilities to c++ side

Revision 663 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 21:00:59 2005 UTC (19 years, 6 months ago) by gezelter
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5276 byte(s)
Diff to previous 642

Don't remember what we did

Revision 642 - (view) (annotate) - [selected]
Modified Mon Oct 3 15:54:23 2005 UTC (19 years, 7 months ago) by tim
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5274 byte(s)
Diff to previous 507

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

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5274 byte(s)
Diff to previous 273 , to selected 642

xemacs has been drafted to perform our indentation services

Revision 273 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 3 months ago) by tim
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 5310 byte(s)
Diff to previous 246 , to selected 642

(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 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 4646 byte(s)
Diff to previous 205 , to selected 642

merging new_design branch into OOPSE-2.0

Revision 205 - (view) (annotate) - [select for diffs]
Modified Thu Nov 4 16:22:03 2004 UTC (20 years, 5 months ago) by gezelter
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 15515 byte(s)
Diff to previous 3 , to selected 642

isLinear and linearAxis are virtual in StuntDouble,
but are implemented by DirectionalAtom and RigidBody
In StuntDouble, they should return false and "-1" but
there should be logic to figure them out in the other
two classes

Revision 3 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 14931 byte(s)
Diff to previous 2 , to selected 642

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
Original Path: trunk/src/primitives/DirectionalAtom.cpp
File length: 14898 byte(s)
Diff to selected 642

Import of OOPSE v. 2.0

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