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root/group/trunk/OOPSE-4/src/brains/MoleculeCreator.cpp
Revision 3432 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (16 years, 9 months ago) by gezelter
File length: 17524 byte(s)
Diff to previous 2508 
Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
Revision 2508 - (view) (annotate) - [select for diffs]
Modified Mon Dec 12 19:32:50 2005 UTC (19 years, 4 months ago) by gezelter
File length: 14931 byte(s)
Diff to previous 2469 
made some minor changes to allow compilation with the portland group
compilers
Revision 2469 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
File length: 14911 byte(s)
Diff to previous 2346 
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
Revision 2346 - (view) (annotate) - [select for diffs]
Modified Wed Oct 5 19:34:01 2005 UTC (19 years, 6 months ago) by tim
File length: 15341 byte(s)
Diff to previous 2204 
fix a bug in creating cutoffGroup. When
cutoffGroup is turned off, there is a mismatch between group and
center of mass array
Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 16073 byte(s)
Diff to previous 2087 
xemacs has been drafted to perform our indentation services
Revision 2087 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:06:49 2005 UTC (20 years, 1 month ago) by gezelter
File length: 17498 byte(s)
Diff to previous 1976 
Using OOPSE_itoa and checking a NULL left over from the LinkedList days
Revision 1976 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:44:15 2005 UTC (20 years, 2 months ago) by tim
File length: 17595 byte(s)
Diff to previous 1957 
adding SelectionManager into SimInfo
Revision 1957 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 3 months ago) by tim
File length: 17465 byte(s)
Diff to previous 1930 
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
Revision 1930 - (view) (annotate) - [select for diffs]
Added Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
File length: 16413 byte(s) 
merging new_design branch into OOPSE-2.0

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