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Revision 2062 - Directory Listing - [selected]
Modified Tue Mar 3 16:40:39 2015 UTC (10 years, 6 months ago) by gezelter
Diff to previous 2046 
Removed warnings, inlined common calls
Revision 2046 - Directory Listing - [select for diffs]
Modified Tue Dec 2 22:11:04 2014 UTC (10 years, 9 months ago) by gezelter
Diff to previous 2040 , to selected 2062 
Fixed some broken comments for use with Doxygen.
Made changes to allow topology-based force-field overrides in include files.
Fixed a calculation of box quadrupole moments for molecules with point dipoles.
Revision 2040 - Directory Listing - [select for diffs]
Modified Thu Nov 13 17:49:44 2014 UTC (10 years, 10 months ago) by gezelter
Diff to previous 2031 , to selected 2062 
Added a vcorr2spectrum script to simplify the task of computing spectra
Revision 2031 - Directory Listing - [select for diffs]
Modified Fri Oct 31 18:40:40 2014 UTC (10 years, 10 months ago) by jmichalk
Diff to previous 2026 , to selected 2062 
Added a surface diffusion analyser to staticProps
Revision 2026 - Directory Listing - [select for diffs]
Modified Wed Oct 22 12:23:59 2014 UTC (10 years, 10 months ago) by gezelter
Diff to previous 1979 , to selected 2062 
Starting to add support for UniformGradient. 
Changed Vector3d input type to a more general std::vector<RealType> input.  This change alters RNEMD and UniformField inputs.
Revision 1979 - Directory Listing - [select for diffs]
Modified Sat Apr 5 20:56:01 2014 UTC (11 years, 5 months ago) by gezelter
Diff to previous 1969 , to selected 2062 
* Changed the stdDev printouts in RNEMD stats to the 95% confidence intervals
* Added the ability to specify non-bonded constraints in a molecule
* Added the ability to do selection offsets in the pAngle staticProps module
Revision 1969 - Directory Listing - [select for diffs]
Modified Wed Feb 26 14:14:50 2014 UTC (11 years, 6 months ago) by gezelter
Diff to previous 1902 , to selected 2062 
Fixes to deal with deprecation of MPI C++ bindings.  We've reverted back to the
C calls.
Revision 1902 - Directory Listing - [select for diffs]
Modified Tue Jul 16 17:16:45 2013 UTC (12 years, 2 months ago) by gezelter
Diff to previous 1879 , to selected 2062 
Added a satellites keyword to the inversion block.
Revision 1879 - Directory Listing - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (12 years, 3 months ago) by gezelter
Diff to previous 1782 , to selected 2062 
MERGE OpenMD development 1783:1878 into trunk
Revision 1782 - Directory Listing - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (13 years ago) by gezelter
Diff to previous 1558 , to selected 2062 
MERGE OpenMD development branch 1465:1781 into trunk
Revision 1558 - Directory Listing - [select for diffs]
Modified Wed May 11 16:32:48 2011 UTC (14 years, 4 months ago) by gezelter
Diff to previous 1442 , to selected 2062 
Updated antlr, some minor formatting changes
Revision 1442 - Directory Listing - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 4 months ago) by gezelter
Diff to previous 1390 , to selected 2062 
Adding property set to svn entries
Revision 1390 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 9 months ago) by gezelter
Diff to previous 1360 , to selected 2062 
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 ago) by cli2
Diff to previous 1277 , to selected 2062 
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, 2 months ago) by gezelter
Diff to previous 1275 , to selected 2062 
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, 2 months ago) by cli2
Diff to previous 1245 , to selected 2062 
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, 3 months ago) by chuckv
Diff to previous 1024 , to selected 2062 
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 ago) by tim
Diff to previous 963 , to selected 2062 
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, 4 months ago) by tim
Diff to previous 938 , to selected 2062 
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, 5 months ago) by gezelter
Diff to previous 924 , to selected 2062 
Many performance improvements
Revision 924 - Directory Listing - [select for diffs]
Modified Wed Mar 29 22:24:59 2006 UTC (19 years, 5 months ago) by chuckv
Diff to previous 912 , to selected 2062 
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, 5 months ago) by tim
Diff to previous 848 , to selected 2062 
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, 8 months ago) by gezelter
Diff to previous 814 , to selected 2062 
autoconf modernization and cruft removal
Revision 814 - Directory Listing - [select for diffs]
Modified Fri Dec 16 02:57:00 2005 UTC (19 years, 9 months ago) by tim
Diff to previous 810 , to selected 2062 
replace grammar for numerical parsing
Revision 810 - Directory Listing - [select for diffs]
Modified Wed Dec 14 18:02:28 2005 UTC (19 years, 9 months ago) by tim
Diff to previous 770 , to selected 2062 
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, 9 months ago) by tim
Diff to selected 2062 
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

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