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

Revision 1953 - (view) (annotate) - [select for diffs]
Modified Thu Dec 5 18:19:26 2013 UTC (11 years, 4 months 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 (11 years, 8 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 (11 years, 9 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 (11 years, 10 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 (12 years, 4 months 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 (12 years, 7 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 (12 years, 8 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 (14 years, 6 months 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 (14 years, 11 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, 1 month 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 (15 years, 5 months 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 (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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

selection in progress

Revision 281 - (view) (annotate) - [select for diffs]
Modified Wed Feb 2 23:13:11 2005 UTC (20 years, 2 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, 3 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, 3 months ago) by tim
File length: 2141 byte(s)

adding selection library

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