Revision
1210 -
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Modified
Wed Jan 23 03:45:33 2008 UTC
(17 years, 10 months ago)
by
gezelter
Diff to
previous 1208
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to
selected 944
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
981 -
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Modified
Mon Jun 5 18:24:45 2006 UTC
(19 years, 5 months ago)
by
gezelter
Diff to
previous 978
,
to
selected 944
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
944 -
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Modified
Tue Apr 25 02:06:12 2006 UTC
(19 years, 7 months ago)
by
gezelter
Diff to
previous 938
Added EAM atom types to Hydro models