ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/primitives/Molecule.hpp
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: 12133 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: 12090 byte(s)
Diff to previous 1275 
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 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 9 months ago) by cli2
File length: 10967 byte(s)
Diff to previous 1211 
Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...
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: 10267 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: 10101 byte(s)
Diff to previous 507 
Adding single precision capabilities to c++ side
Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 10097 byte(s)
Diff to previous 305 
xemacs has been drafted to perform our indentation services
Revision 305 - (view) (annotate) - [select for diffs]
Modified Mon Feb 7 22:39:19 2005 UTC (20 years, 2 months ago) by tim
File length: 10958 byte(s)
Diff to previous 289 
add getRigidBodyAt  function into Molecule class
Revision 289 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:41:23 2005 UTC (20 years, 2 months ago) by tim
File length: 10806 byte(s)
Diff to previous 259 
adding missing implementation
Revision 259 - (view) (annotate) - [select for diffs]
Modified Fri Jan 14 01:56:04 2005 UTC (20 years, 3 months ago) by tim
File length: 10712 byte(s)
Diff to previous 246 
fix a bug in global index
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: 10710 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: 3741 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: 3691 byte(s) 
Import of OOPSE v. 2.0

Convenience Links

Links to HEAD: (view) (annotate)

Compare Revisions

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

  Diffs between and
  Type of Diff should be a