[ViewVC] Log of: OpenMD/trunk/src/selection/SelectionEvaluator.cpp

Revision 1364 - (view) (annotate) - [selected]
Modified Wed Oct 7 20:49:50 2009 UTC (15 years, 6 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 (15 years, 7 months ago) by cli2
File length: 13337 byte(s)
Diff to previous 963 , to selected 1364

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 (18 years, 11 months ago) by tim
File length: 13121 byte(s)
Diff to previous 770 , to selected 1364

Adding single precision capabilities to c++ side

Revision 770 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
File length: 13115 byte(s)
Diff to previous 507 , to selected 1364

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 ago) by gezelter
File length: 13015 byte(s)
Diff to previous 432 , to selected 1364

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, 1 month ago) by tim
File length: 13940 byte(s)
Diff to previous 418 , to selected 1364

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, 1 month ago) by tim
File length: 12785 byte(s)
Diff to previous 415 , to selected 1364

minor change

Revision 415 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 18:46:16 2005 UTC (20 years, 1 month ago) by tim
File length: 12955 byte(s)
Diff to previous 413 , to selected 1364

fix compilation issue

Revision 413 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (20 years, 1 month ago) by tim
File length: 12945 byte(s)
Diff to previous 351 , to selected 1364

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, 2 months ago) by tim
File length: 12969 byte(s)
Diff to previous 350 , to selected 1364

BlockSnapshotManager is using reference counting now

Revision 350 - (view) (annotate) - [select for diffs]
Modified Tue Feb 15 17:49:58 2005 UTC (20 years, 2 months ago) by tim
File length: 12958 byte(s)
Diff to previous 301 , to selected 1364

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, 2 months ago) by chrisfen
File length: 12947 byte(s)
Diff to previous 298 , to selected 1364

selection librarys added

Revision 298 - (view) (annotate) - [select for diffs]
Modified Mon Feb 7 20:06:00 2005 UTC (20 years, 2 months ago) by tim
File length: 12944 byte(s)
Diff to previous 295 , to selected 1364

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, 2 months ago) by tim
File length: 12928 byte(s)
Diff to previous 288 , to selected 1364

selection library is working

Revision 288 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:39:26 2005 UTC (20 years, 2 months ago) by tim
File length: 11674 byte(s)
Diff to previous 283 , to selected 1364

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, 2 months ago) by tim
File length: 10430 byte(s)
Diff to previous 282 , to selected 1364

more work in selection library

Revision 282 - (view) (annotate) - [select for diffs]
Modified Thu Feb 3 14:04:59 2005 UTC (20 years, 2 months ago) by tim
File length: 9623 byte(s)
Diff to previous 281 , to selected 1364

selection in progress

Revision 281 - (view) (annotate) - [select for diffs]
Modified Wed Feb 2 23:13:11 2005 UTC (20 years, 3 months ago) by tim
File length: 9198 byte(s)
Diff to previous 278 , to selected 1364

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, 3 months ago) by tim
File length: 10209 byte(s)
Diff to previous 277 , to selected 1364

Selection in progress

Revision 277 - (view) (annotate) - [select for diffs]
Added Tue Feb 1 06:55:00 2005 UTC (20 years, 3 months ago) by tim
File length: 2141 byte(s)
Diff to selected 1364

adding selection library

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