[ViewVC] Log of: group/trunk/OOPSE-4/src/selection/SelectionEvaluator.cpp

Revision 3533 - (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 3520 , to selected 2035

Bug fixes in the SelectionEvaluator and SelectionCompiler
Added print option in Restraints

Revision 3520 - (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 2759 , to selected 2035

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 2759 - (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 2469 , to selected 2035

Adding single precision capabilities to c++ side

Revision 2469 - (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 2204 , to selected 2035

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

Revision 2204 - (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 2116 , to selected 2035

xemacs has been drafted to perform our indentation services

Revision 2116 - (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 2102 , to selected 2035

clean up SimInfo; modify the images of SelectionExpression.html

Revision 2102 - (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 2099 , to selected 2035

minor change

Revision 2099 - (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 2097 , to selected 2035

fix compilation issue

Revision 2097 - (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 2035

adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;

Revision 2035 - (view) (annotate) - [selected]
Modified Tue Feb 15 19:36:07 2005 UTC (20 years, 10 months ago) by tim
File length: 12969 byte(s)
Diff to previous 2034

BlockSnapshotManager is using reference counting now

Revision 2034 - (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 1985 , to selected 2035

replace std::make_pair by VariablesType::value_type to make Sun Compiler happy

Revision 1985 - (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 1982 , to selected 2035

selection librarys added

Revision 1982 - (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 1979 , to selected 2035

forget to reset the pc which cause reevaluate return NULL

Revision 1979 - (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 1972 , to selected 2035

selection library is working

Revision 1972 - (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 1967 , to selected 2035

half of the selection utility is working need to debug within keyword and atomproperty keyword

Revision 1967 - (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 1966 , to selected 2035

more work in selection library

Revision 1966 - (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 1965 , to selected 2035

selection in progress

Revision 1965 - (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 1962 , to selected 2035

selection library in progress, except SelectionEvaluator, other files are compiled

Revision 1962 - (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 1961 , to selected 2035

Selection in progress

Revision 1961 - (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)
Diff to selected 2035

adding selection library

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