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root/OpenMD/trunk/src/selection/SelectionEvaluator.cpp
Revision 2071 - (view) (annotate) - [select for diffs]
Modified Sat Mar 7 21:41:51 2015 UTC (10 years, 9 months ago) by gezelter
File length: 28912 byte(s)
Diff to previous 2055 
Reducing the number of warnings when using g++ to compile.
Revision 2055 - (view) (annotate) - [select for diffs]
Modified Fri Feb 6 18:49:27 2015 UTC (10 years, 10 months ago) by gezelter
File length: 28922 byte(s)
Diff to previous 2052 
Modified SelectionEvalutator to handle positional information for molecules
based on the center of mass.
Revision 2052 - (view) (annotate) - [select for diffs]
Modified Fri Jan 9 19:06:35 2015 UTC (10 years, 11 months ago) by gezelter
File length: 24412 byte(s)
Diff to previous 1953 
Updating Hydrogen Bonding structures, and selection syntax to include molecule selections:
Revision 1953 - (view) (annotate) - [select for diffs]
Modified Thu Dec 5 18:19:26 2013 UTC (12 years ago) by gezelter
File length: 24297 byte(s)
Diff to previous 1931 
Rewrote much of selection module, added a bond correlation function
Revision 1931 - (view) (annotate) - [select for diffs]
Modified Mon Aug 19 19:20:32 2013 UTC (12 years, 3 months ago) by gezelter
File length: 22668 byte(s)
Diff to previous 1903 
fixed a sameRegion initialization issue
Revision 1903 - (view) (annotate) - [select for diffs]
Modified Tue Jul 16 18:58:08 2013 UTC (12 years, 5 months ago) by gezelter
File length: 22666 byte(s)
Diff to previous 1879 
Test to see if we can eliminate a bug in MPI runs involving RNEMD.
Revision 1879 - (view) (annotate) - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (12 years, 6 months ago) by gezelter
File length: 22576 byte(s)
Diff to previous 1816 
MERGE OpenMD development 1783:1878 into trunk
Revision 1816 - (view) (annotate) - [select for diffs]
Modified Fri Dec 7 18:33:33 2012 UTC (13 years ago) by gezelter
File length: 21507 byte(s)
Diff to previous 1801 
Updated selections to be frame-addressable (to support selection correlation
function).
Revision 1801 - (view) (annotate) - [select for diffs]
Modified Mon Oct 1 18:21:15 2012 UTC (13 years, 2 months ago) by gezelter
File length: 14964 byte(s)
Diff to previous 1782 
Some parallel fixes for "select all" selection scripts.  The distance finder
selection, e.g. "select within(4.0, Au)", still needs work, however.
Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (13 years, 3 months ago) by gezelter
File length: 14262 byte(s)
Diff to previous 1513 
MERGE OpenMD development branch 1465:1781 into trunk
Revision 1513 - (view) (annotate) - [select for diffs]
Modified Tue Oct 19 18:40:54 2010 UTC (15 years, 1 month ago) by gezelter
File length: 14218 byte(s)
Diff to previous 1442 
Adding an object count option to staticProps
Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 7 months ago) by gezelter
File length: 14141 byte(s)
Diff to previous 1412 
Adding property set to svn entries
Revision 1412 - (view) (annotate) - [select for diffs]
Modified Mon Mar 22 18:45:39 2010 UTC (15 years, 8 months ago) by gezelter
File length: 14141 byte(s)
Diff to previous 1390 
Adding a hull finder to the selection syntax
Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (16 years ago) by gezelter
File length: 13907 byte(s)
Diff to previous 1364 
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
Revision 1364 - (view) (annotate) - [select for diffs]
Modified Wed Oct 7 20:49:50 2009 UTC (16 years, 2 months ago) by cli2
File length: 13843 byte(s)
Diff to previous 1360 
Bug fixes in the SelectionEvaluator and SelectionCompiler
Added print option in Restraints
Revision 1360 - (view) (annotate) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (16 years, 3 months ago) by cli2
File length: 13337 byte(s)
Diff to previous 963 
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 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 7 months ago) by tim
File length: 13121 byte(s)
Diff to previous 770 
Adding single precision capabilities to c++ side
Revision 770 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (20 years ago) by tim
File length: 13115 byte(s)
Diff to previous 507 
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 8 months ago) by gezelter
File length: 13015 byte(s)
Diff to previous 432 
xemacs has been drafted to perform our indentation services
Revision 432 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 15:00:20 2005 UTC (20 years, 9 months ago) by tim
File length: 13940 byte(s)
Diff to previous 418 
clean up SimInfo; modify the images of SelectionExpression.html
Revision 418 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 16:14:07 2005 UTC (20 years, 9 months ago) by tim
File length: 12785 byte(s)
Diff to previous 415 
minor change
Revision 415 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 18:46:16 2005 UTC (20 years, 9 months ago) by tim
File length: 12955 byte(s)
Diff to previous 413 
fix compilation issue
Revision 413 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (20 years, 9 months ago) by tim
File length: 12945 byte(s)
Diff to previous 351 
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Revision 351 - (view) (annotate) - [select for diffs]
Modified Tue Feb 15 19:36:07 2005 UTC (20 years, 10 months ago) by tim
File length: 12969 byte(s)
Diff to previous 350 
BlockSnapshotManager is using reference counting now
Revision 350 - (view) (annotate) - [select for diffs]
Modified Tue Feb 15 17:49:58 2005 UTC (20 years, 10 months ago) by tim
File length: 12958 byte(s)
Diff to previous 301 
replace std::make_pair by VariablesType::value_type to make Sun Compiler happy
Revision 301 - (view) (annotate) - [select for diffs]
Modified Mon Feb 7 20:39:36 2005 UTC (20 years, 10 months ago) by chrisfen
File length: 12947 byte(s)
Diff to previous 298 
selection librarys added
Revision 298 - (view) (annotate) - [select for diffs]
Modified Mon Feb 7 20:06:00 2005 UTC (20 years, 10 months ago) by tim
File length: 12944 byte(s)
Diff to previous 295 
forget to reset the pc which cause reevaluate return NULL
Revision 295 - (view) (annotate) - [select for diffs]
Modified Mon Feb 7 19:13:18 2005 UTC (20 years, 10 months ago) by tim
File length: 12928 byte(s)
Diff to previous 288 
selection library is working
Revision 288 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:39:26 2005 UTC (20 years, 10 months ago) by tim
File length: 11674 byte(s)
Diff to previous 283 
half of the selection utility is working need to debug within keyword and atomproperty keyword
Revision 283 - (view) (annotate) - [select for diffs]
Modified Thu Feb 3 23:14:05 2005 UTC (20 years, 10 months ago) by tim
File length: 10430 byte(s)
Diff to previous 282 
more work in selection library
Revision 282 - (view) (annotate) - [select for diffs]
Modified Thu Feb 3 14:04:59 2005 UTC (20 years, 10 months ago) by tim
File length: 9623 byte(s)
Diff to previous 281 
selection in progress
Revision 281 - (view) (annotate) - [select for diffs]
Modified Wed Feb 2 23:13:11 2005 UTC (20 years, 10 months ago) by tim
File length: 9198 byte(s)
Diff to previous 278 
selection library in progress, except SelectionEvaluator, other files are compiled
Revision 278 - (view) (annotate) - [select for diffs]
Modified Tue Feb 1 22:49:23 2005 UTC (20 years, 10 months ago) by tim
File length: 10209 byte(s)
Diff to previous 277 
Selection in progress
Revision 277 - (view) (annotate) - [select for diffs]
Added Tue Feb 1 06:55:00 2005 UTC (20 years, 10 months ago) by tim
File length: 2141 byte(s) 
adding selection library

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