[ViewVC] Log of: OpenMD/trunk/src/selection

Revision 1364 - Directory Listing - [select for diffs]
Modified Wed Oct 7 20:49:50 2009 UTC (15 years, 9 months ago) by cli2
Diff to previous 1360 , to selected 463

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

Revision 1360 - Directory Listing - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 10 months ago) by cli2
Diff to previous 963 , to selected 463

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 - Directory Listing - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 2 months ago) by tim
Diff to previous 780 , to selected 463

Adding single precision capabilities to c++ side

Revision 780 - Directory Listing - [select for diffs]
Modified Fri Dec 2 20:34:09 2005 UTC (19 years, 8 months ago) by tim
Diff to previous 770 , to selected 463

adding SelectionToken.cpp

Revision 770 - Directory Listing - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 8 months ago) by tim
Diff to previous 507 , to selected 463

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

Revision 507 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 494 , to selected 463

xemacs has been drafted to perform our indentation services

Revision 494 - Directory Listing - [select for diffs]
Modified Wed Apr 13 22:43:43 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 463

fix some warning messages

Revision 463 - Directory Listing - [selected]
Modified Mon Apr 11 20:16:50 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 452

change the parameter name in constructors

Revision 452 - Directory Listing - [select for diffs]
Modified Tue Apr 5 23:09:48 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 432 , to selected 463

support '+' and '-' in atom type name;clean the code a little bit

Revision 432 - Directory Listing - [select for diffs]
Modified Fri Mar 11 15:00:20 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 418 , to selected 463

clean up SimInfo; modify the images of SelectionExpression.html

Revision 418 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:14:07 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 416 , to selected 463

minor change

Revision 416 - Directory Listing - [select for diffs]
Modified Wed Mar 9 18:48:14 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 415 , to selected 463

adding IndexFinder

Revision 415 - Directory Listing - [select for diffs]
Modified Wed Mar 9 18:46:16 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 413 , to selected 463

fix compilation issue

Revision 413 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 358 , to selected 463

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

Revision 358 - Directory Listing - [select for diffs]
Modified Thu Feb 17 15:18:36 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 353 , to selected 463

The change of interface of BitSet cause a bug in SelectionEvaluation

Revision 353 - Directory Listing - [select for diffs]
Modified Wed Feb 16 19:36:30 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 351 , to selected 463

change the suffix of output files;fix the problem of counting in staticProps

Revision 351 - Directory Listing - [select for diffs]
Modified Tue Feb 15 19:36:07 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 350 , to selected 463

BlockSnapshotManager is using reference counting now

Revision 350 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:49:58 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 349 , to selected 463

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

Revision 349 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:35:30 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 317 , to selected 463

adding typedef to TokenMap, using TokenMapType::value_type instead of
std::make_pair to make Sun compiler happy

Revision 317 - Directory Listing - [select for diffs]
Modified Sat Feb 12 20:09:28 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 315 , to selected 463

adding SelectionManager.cpp

Revision 315 - Directory Listing - [select for diffs]
Modified Fri Feb 11 22:39:03 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 303 , to selected 463

adding beginSelected, nextSelected method to SelectionManager

Revision 303 - Directory Listing - [select for diffs]
Modified Mon Feb 7 22:36:32 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 301 , to selected 463

support select internal index selection, for example, select DMPC.3

Revision 301 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:39:36 2005 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 300 , to selected 463

selection librarys added

Revision 300 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:31:50 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 298 , to selected 463

adding Makefile

Revision 298 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:06:00 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 295 , to selected 463

forget to reset the pc which cause reevaluate return NULL

Revision 295 - Directory Listing - [select for diffs]
Modified Mon Feb 7 19:13:18 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 288 , to selected 463

selection library is working

Revision 288 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:39:26 2005 UTC (20 years, 6 months ago) by tim
Diff to previous 287 , to selected 463

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

Revision 287 - Directory Listing - [select for diffs]
Modified Fri Feb 4 05:42:49 2005 UTC (20 years, 6 months ago) by tim
Diff to previous 284 , to selected 463

selection library get built

Revision 284 - Directory Listing - [select for diffs]
Modified Fri Feb 4 04:57:04 2005 UTC (20 years, 6 months ago) by tim
Diff to previous 283 , to selected 463

adding wildcard class; NameFinder is finished

Revision 283 - Directory Listing - [select for diffs]
Modified Thu Feb 3 23:14:05 2005 UTC (20 years, 6 months ago) by tim
Diff to previous 282 , to selected 463

more work in selection library

Revision 282 - Directory Listing - [select for diffs]
Modified Thu Feb 3 14:04:59 2005 UTC (20 years, 6 months ago) by tim
Diff to previous 281 , to selected 463

selection in progress

Revision 281 - Directory Listing - [select for diffs]
Modified Wed Feb 2 23:13:11 2005 UTC (20 years, 6 months ago) by tim
Diff to previous 279 , to selected 463

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

Revision 279 - Directory Listing - [select for diffs]
Modified Wed Feb 2 12:51:25 2005 UTC (20 years, 6 months ago) by tim
Diff to previous 278 , to selected 463

add SelectionCompiler.cpp

Revision 278 - Directory Listing - [select for diffs]
Modified Tue Feb 1 22:49:23 2005 UTC (20 years, 6 months ago) by tim
Diff to previous 277 , to selected 463

Selection in progress

Revision 277 - Directory Listing - [select for diffs]
Added Tue Feb 1 06:55:00 2005 UTC (20 years, 6 months ago) by tim
Diff to selected 463

adding selection library

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