Revision 1360 - Directory Listing - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (16 years, 2 months ago) by cli2
Diff to previous 1290 , to selected 861

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 1249 - Directory Listing - [select for diffs]
Modified Mon Jun 2 02:42:50 2008 UTC (17 years, 5 months ago) by gezelter
Diff to previous 1241 , to selected 861

Fixed a bug in BlockSnapshotManager.

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

Revision 993 - Directory Listing - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (19 years, 5 months ago) by chrisfen
Diff to previous 861

MPI thermodynamic integration works now.

fixed some version info and the copyright date

Revision 770 - Directory Listing - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 704 , to selected 861

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

nothing

Revision 691 - Directory Listing - [select for diffs]
Modified Wed Oct 19 19:24:40 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 665 , to selected 861

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

rewrite Globals

Revision 510 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:40:33 2005 UTC (20 years, 7 months ago) by gezelter
Diff to previous 509 , to selected 861

fixed the spacing on the banner.  Vanity.

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

Revision 507 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 7 months ago) by gezelter
Diff to previous 447 , to selected 861

xemacs has been drafted to perform our indentation services

avoid building parallel executable for dump2XYZ, simpleBuilder, staticProps and dynamicProps

Revision 367 - Directory Listing - [select for diffs]
Modified Fri Feb 18 15:58:33 2005 UTC (20 years, 9 months ago) by gezelter
Diff to previous 267 , to selected 861

Updated copyright information

moved Package variable into subdirectory makefiles to speed up
the building process

Revision 266 - Directory Listing - [select for diffs]
Modified Fri Jan 14 20:48:53 2005 UTC (20 years, 10 months ago) by gezelter
Diff to previous 255 , to selected 861

Fixed publication details in banner

formatting

Revision 246 - Directory Listing - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 10 months ago) by gezelter
Diff to previous 24 , to selected 861

merging new_design branch into OOPSE-2.0

define DEV_ROOT as relative path

Revision 14 - Directory Listing - [select for diffs]
Modified Wed Sep 29 14:59:25 2004 UTC (21 years, 2 months ago) by tim
Diff to previous 12 , to selected 861

change Makefile to relative path

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