Revision 1776 - Directory Listing - [select for diffs]
Modified Thu Aug 9 15:52:59 2012 UTC (12 years, 11 months ago) by gezelter
Diff to previous 1746 , to selected 1390

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 - Directory Listing - [select for diffs]
Modified Thu May 31 12:25:30 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1665 , to selected 1390

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

updated copyright notices

Revision 1647 - Directory Listing - [select for diffs]
Modified Mon Sep 26 21:20:11 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1465 , to selected 1390

fixing the build system

Creating busticated version of OpenMD

Revision 1442 - Directory Listing - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 2 months ago) by gezelter
Original Path: trunk/src/mdParser
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 - Directory Listing - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 10 months ago) by cli2
Original Path: trunk/src/mdParser
Diff to previous 1277 , to selected 1390

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 - Directory Listing - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (17 years ago) by cli2
Original Path: trunk/src/mdParser
Diff to previous 1245 , to selected 1390

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

Checking in changes for Hefland moment calculations

Revision 1024 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 10 months ago) by tim
Original Path: trunk/src/mdParser
Diff to previous 963 , to selected 1390

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.

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, 3 months ago) by gezelter
Original Path: trunk/src/mdParser
Diff to previous 924 , to selected 1390

Many performance improvements

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, 4 months ago) by tim
Original Path: trunk/src/mdParser
Diff to previous 848 , to selected 1390

Throw exception if the file can not be opened for preprocessing

autoconf modernization and cruft removal

Revision 814 - Directory Listing - [select for diffs]
Modified Fri Dec 16 02:57:00 2005 UTC (19 years, 7 months ago) by tim
Original Path: trunk/src/mdParser
Diff to previous 810 , to selected 1390

replace grammar for numerical parsing

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, 7 months ago) by tim
Original Path: trunk/src/mdParser
Diff to selected 1390

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