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root/OpenMD/branches/heatflux/src/brains/MoleculeCreator.cpp
Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 6 months ago) by chuckv
File length: 17567 byte(s)
Diff to previous 1442
Adding experimental branch for calculation of the heatflux based on old version of OpenMD.
This will need to be ported to the development branch later.

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 3 months ago) by gezelter
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 17567 byte(s)
Diff to previous 1390
Adding property set to svn entries

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 8 months ago) by gezelter
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 17567 byte(s)
Diff to previous 1290
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Revision 1290 - (view) (annotate) - [select for diffs]
Modified Wed Sep 10 19:51:45 2008 UTC (16 years, 10 months ago) by cli2
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 17523 byte(s)
Diff to previous 1277
Inversion fixes and amber mostly working

Revision 1277 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (17 years ago) by gezelter
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 17524 byte(s)
Diff to previous 809
Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.

Revision 809 - (view) (annotate) - [select for diffs]
Modified Mon Dec 12 19:32:50 2005 UTC (19 years, 7 months ago) by gezelter
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 14931 byte(s)
Diff to previous 770
made some minor changes to allow compilation with the portland group
compilers

Revision 770 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 8 months ago) by tim
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 14911 byte(s)
Diff to previous 647
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

Revision 647 - (view) (annotate) - [select for diffs]
Modified Wed Oct 5 19:34:01 2005 UTC (19 years, 10 months ago) by tim
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 15341 byte(s)
Diff to previous 507
fix a bug in creating cutoffGroup. When
cutoffGroup is turned off, there is a mismatch between group and
center of mass array

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 3 months ago) by gezelter
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 16073 byte(s)
Diff to previous 403
xemacs has been drafted to perform our indentation services

Revision 403 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:06:49 2005 UTC (20 years, 5 months ago) by gezelter
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 17498 byte(s)
Diff to previous 292
Using OOPSE_itoa and checking a NULL left over from the LinkedList days

Revision 292 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:44:15 2005 UTC (20 years, 6 months ago) by tim
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 17595 byte(s)
Diff to previous 273
adding SelectionManager into SimInfo

Revision 273 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 6 months ago) by tim
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 17465 byte(s)
Diff to previous 246
(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 246 - (view) (annotate) - [select for diffs]
Added Wed Jan 12 22:41:40 2005 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/brains/MoleculeCreator.cpp
File length: 16413 byte(s)
merging new_design branch into OOPSE-2.0

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