Revision
3319 -
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Modified
Wed Jan 23 03:45:33 2008 UTC
(16 years, 5 months ago)
by
gezelter
Diff to
previous 3311
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to
selected 2646
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
Revision
2787 -
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Modified
Mon Jun 5 18:24:45 2006 UTC
(18 years, 1 month ago)
by
gezelter
Diff to
previous 2774
,
to
selected 2646
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).
Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
Revision
2646 -
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Modified
Tue Mar 21 00:26:55 2006 UTC
(18 years, 3 months ago)
by
tim
Diff to
previous 2644
Fix a bug in friction calculation for ellipsoid