[ViewVC] Log of: group/trunk/OOPSE-4/src/applications/oopse/oopse.cpp

Revision 3520 - (view) (annotate) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (16 years, 3 months ago) by cli2
File length: 7314 byte(s)
Diff to previous 3446 , to selected 2051

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 3446 - (view) (annotate) - [select for diffs]
Modified Wed Sep 10 19:51:45 2008 UTC (17 years, 3 months ago) by cli2
File length: 7077 byte(s)
Diff to previous 3404 , to selected 2051

Inversion fixes and amber mostly working

Revision 3404 - (view) (annotate) - [select for diffs]
Modified Mon Jun 2 02:42:50 2008 UTC (17 years, 6 months ago) by gezelter
File length: 7058 byte(s)
Diff to previous 3388 , to selected 2051

Fixed a bug in BlockSnapshotManager.

Revision 3388 - (view) (annotate) - [select for diffs]
Modified Fri Apr 25 15:14:47 2008 UTC (17 years, 7 months ago) by gezelter
File length: 7058 byte(s)
Diff to previous 2879 , to selected 2051

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 (19 years, 5 months ago) by chrisfen
File length: 7063 byte(s)
Diff to previous 2560 , to selected 2051

MPI thermodynamic integration works now.

Revision 2560 - (view) (annotate) - [select for diffs]
Modified Thu Jan 12 21:16:50 2006 UTC (19 years, 11 months ago) by gezelter
File length: 6846 byte(s)
Diff to previous 2469 , to selected 2051

fixed some version info and the copyright date

Revision 2469 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (20 years ago) by tim
File length: 6846 byte(s)
Diff to previous 2403 , to selected 2051

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

Revision 2403 - (view) (annotate) - [select for diffs]
Modified Tue Nov 1 19:13:23 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 6845 byte(s)
Diff to previous 2390 , to selected 2051

nothing

Revision 2390 - (view) (annotate) - [select for diffs]
Modified Wed Oct 19 19:24:40 2005 UTC (20 years, 2 months ago) by chrisfen
File length: 6844 byte(s)
Diff to previous 2364 , to selected 2051

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

Revision 2364 - (view) (annotate) - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (20 years, 2 months ago) by tim
File length: 6790 byte(s)
Diff to previous 2207 , to selected 2051

rewrite Globals

Revision 2207 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:40:33 2005 UTC (20 years, 8 months ago) by gezelter
File length: 6765 byte(s)
Diff to previous 2206 , to selected 2051

fixed the spacing on the banner.  Vanity.

Revision 2206 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:22:30 2005 UTC (20 years, 8 months ago) by gezelter
File length: 6677 byte(s)
Diff to previous 2204 , to selected 2051

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, 8 months ago) by gezelter
File length: 6581 byte(s)
Diff to previous 2051

xemacs has been drafted to perform our indentation services

Revision 2051 - (view) (annotate) - [selected]
Modified Fri Feb 18 15:58:33 2005 UTC (20 years, 10 months ago) by gezelter
File length: 6795 byte(s)
Diff to previous 1950

Updated copyright information

Revision 1950 - (view) (annotate) - [select for diffs]
Modified Fri Jan 14 20:48:53 2005 UTC (20 years, 11 months ago) by gezelter
File length: 6795 byte(s)
Diff to previous 1930 , to selected 2051

Fixed publication details in banner

Revision 1930 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 11 months ago) by gezelter
File length: 6795 byte(s)
Diff to previous 1501 , to selected 2051

merging new_design branch into OOPSE-2.0

Revision 1501 - (view) (annotate) - [select for diffs]
Added Tue Sep 28 23:24:25 2004 UTC (21 years, 2 months ago) by tim
File length: 3637 byte(s)
Diff to selected 2051

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

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