[ViewVC] Log of: OpenMD/branches/devel

Revision 1594 - Directory Listing - [selected]
Modified Tue Jul 19 16:45:30 2011 UTC (14 years, 4 months ago) by chuckv
Diff to previous 1465

Branching from main development branch to OpenMP dev version at dev branch 1593

Revision 1465 - Directory Listing - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (15 years, 4 months ago) by chuckv
Original Path: branches/development/src/mdParser
Diff to previous 1442 , to selected 1594

Creating busticated version of OpenMD

Revision 1442 - Directory Listing - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 6 months ago) by gezelter
Original Path: trunk/src/mdParser
Diff to previous 1390 , to selected 1594

Adding property set to svn entries

Revision 1390 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 11 months ago) by gezelter
Original Path: trunk/src/mdParser
Diff to previous 1360 , to selected 1594

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Revision 1360 - Directory Listing - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (16 years, 2 months ago) by cli2
Original Path: trunk/src/mdParser
Diff to previous 1277 , to selected 1594

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 1277 - Directory Listing - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (17 years, 4 months ago) by gezelter
Original Path: trunk/src/mdParser
Diff to previous 1275 , to selected 1594

Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.

Revision 1275 - Directory Listing - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (17 years, 4 months ago) by cli2
Original Path: trunk/src/mdParser
Diff to previous 1245 , to selected 1594

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Revision 1245 - Directory Listing - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (17 years, 5 months ago) by chuckv
Original Path: trunk/src/mdParser
Diff to previous 1024 , to selected 1594

Checking in changes for Hefland moment calculations

Revision 1024 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (19 years, 2 months ago) by tim
Original Path: trunk/src/mdParser
Diff to previous 963 , to selected 1594

Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.

Revision 963 - Directory Listing - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 6 months ago) by tim
Original Path: trunk/src/mdParser
Diff to previous 938 , to selected 1594

Adding single precision capabilities to c++ side

Revision 938 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (19 years, 7 months ago) by gezelter
Original Path: trunk/src/mdParser
Diff to previous 924 , to selected 1594

Many performance improvements

Revision 924 - Directory Listing - [select for diffs]
Modified Wed Mar 29 22:24:59 2006 UTC (19 years, 7 months ago) by chuckv
Original Path: trunk/src/mdParser
Diff to previous 912 , to selected 1594

Added check to make sure md file exists.

Revision 912 - Directory Listing - [select for diffs]
Modified Thu Mar 23 14:59:14 2006 UTC (19 years, 8 months ago) by tim
Original Path: trunk/src/mdParser
Diff to previous 848 , to selected 1594

Throw exception if the file can not be opened for preprocessing

Revision 848 - Directory Listing - [select for diffs]
Modified Wed Jan 11 23:06:08 2006 UTC (19 years, 10 months ago) by gezelter
Original Path: trunk/src/mdParser
Diff to previous 814 , to selected 1594

autoconf modernization and cruft removal

Revision 814 - Directory Listing - [select for diffs]
Modified Fri Dec 16 02:57:00 2005 UTC (19 years, 11 months ago) by tim
Original Path: trunk/src/mdParser
Diff to previous 810 , to selected 1594

replace grammar for numerical parsing

Revision 810 - Directory Listing - [select for diffs]
Modified Wed Dec 14 18:02:28 2005 UTC (19 years, 11 months ago) by tim
Original Path: trunk/src/mdParser
Diff to previous 770 , to selected 1594

fix a nasty negative integer parsing problem by refining the grammar

Revision 770 - Directory Listing - [select for diffs]
Added Fri Dec 2 15:38:03 2005 UTC (19 years, 11 months ago) by tim
Original Path: trunk/src/mdParser
Diff to selected 1594

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

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