Revision 1776 - (view) (annotate) - [select for diffs]
Modified Thu Aug 9 15:52:59 2012 UTC (12 years, 8 months ago) by gezelter
File length: 11751 byte(s)
Diff to previous 1746

Fixes to mdParser to handle vector assignments, fixes for VelocityVerletIntegrator deleting rnemd_ when it doesn't exist yet.

added a minimizer parsing block

Revision 1731 - (view) (annotate) - [select for diffs]
Modified Thu May 31 12:25:30 2012 UTC (12 years, 11 months ago) by gezelter
File length: 11425 byte(s)
Diff to previous 1465

Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.

Creating busticated version of OpenMD

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/mdParser/MDTreeParser.g
File length: 10803 byte(s)
Diff to previous 1390

Adding property set to svn entries

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
Original Path: trunk/src/mdParser/MDTreeParser.g
File length: 10802 byte(s)
Diff to previous 1277

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

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

Revision 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 9 months ago) by cli2
Original Path: trunk/src/mdParser/MDTreeParser.g
File length: 10447 byte(s)
Diff to previous 963

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

Adding single precision capabilities to c++ side

Revision 814 - (view) (annotate) - [select for diffs]
Modified Fri Dec 16 02:57:00 2005 UTC (19 years, 4 months ago) by tim
Original Path: trunk/src/mdParser/MDTreeParser.g
File length: 9546 byte(s)
Diff to previous 810

replace grammar for numerical parsing

fix a nasty negative integer parsing problem by refining the grammar

Revision 770 - (view) (annotate) - [select for diffs]
Added Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
Original Path: trunk/src/mdParser/MDTreeParser.g
File length: 10387 byte(s)

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