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 , to selected 963

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

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

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 963

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

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 963

clean up SimInfo; modify the images of SelectionExpression.html

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 963

fix compilation issue

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 963

BlockSnapshotManager is using reference counting now

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 963

selection librarys added

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 963

selection library is working

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 963

more work in selection library

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 963

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

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 963

adding selection library