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Revision 1776 - Directory Listing - [select for diffs]
Modified Thu Aug 9 15:52:59 2012 UTC (13 years, 3 months ago) by gezelter
Diff to previous 1746 , to selected 1731 
Fixes to mdParser to handle vector assignments, fixes for VelocityVerletIntegrator deleting rnemd_ when it doesn't exist yet.
Revision 1746 - Directory Listing - [select for diffs]
Modified Wed Jun 6 02:18:54 2012 UTC (13 years, 5 months ago) by gezelter
Diff to previous 1731 
added a minimizer parsing block
Revision 1731 - Directory Listing - [selected]
Modified Thu May 31 12:25:30 2012 UTC (13 years, 5 months ago) by gezelter
Diff to previous 1665 
Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.
Revision 1665 - Directory Listing - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1647 , to selected 1731 
updated copyright notices
Revision 1647 - Directory Listing - [select for diffs]
Modified Mon Sep 26 21:20:11 2011 UTC (14 years, 1 month ago) by gezelter
Diff to previous 1465 , to selected 1731 
fixing the build system
Revision 1465 - Directory Listing - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (15 years, 4 months ago) by chuckv
Diff to previous 1442 , to selected 1731 
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 1731 
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 1731 
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 1731 
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 1731 
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 1731 
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 1731 
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 1731 
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 1731 
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 1731 
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 1731 
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, 7 months ago) by tim
Original Path: trunk/src/mdParser
Diff to previous 848 , to selected 1731 
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 1731 
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 1731 
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 1731 
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 1731 
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

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