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: 7314 byte(s)
Diff to previous 3446

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

Inversion fixes and amber mostly working

Revision 3404 - (view) (annotate) - [select for diffs]
Modified Mon Jun 2 02:42:50 2008 UTC (16 years, 11 months ago) by gezelter
File length: 7058 byte(s)
Diff to previous 3388

Fixed a bug in BlockSnapshotManager.

A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...

Revision 2879 - (view) (annotate) - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 7063 byte(s)
Diff to previous 2560

MPI thermodynamic integration works now.

fixed some version info and the copyright date

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: 6846 byte(s)
Diff to previous 2403

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

nothing

Revision 2390 - (view) (annotate) - [select for diffs]
Modified Wed Oct 19 19:24:40 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 6844 byte(s)
Diff to previous 2364

Still had some globals toUpper problems - these changes should fix those...

rewrite Globals

Revision 2207 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:40:33 2005 UTC (20 years ago) by gezelter
File length: 6765 byte(s)
Diff to previous 2206

fixed the spacing on the banner.  Vanity.

Version string in banner (and version numbers in config.h)

Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 6581 byte(s)
Diff to previous 2051

xemacs has been drafted to perform our indentation services

Updated copyright information

Revision 1950 - (view) (annotate) - [select for diffs]
Modified Fri Jan 14 20:48:53 2005 UTC (20 years, 3 months ago) by gezelter
File length: 6795 byte(s)
Diff to previous 1930

Fixed publication details in banner

merging new_design branch into OOPSE-2.0

Revision 1501 - (view) (annotate) - [select for diffs]
Added Tue Sep 28 23:24:25 2004 UTC (20 years, 7 months ago) by tim
File length: 3637 byte(s)

change directory structure of application. Every executable file is replaced in seperate directory