[ViewVC] Log of: group/trunk/OOPSE-4/src/utils/ElementsTable.cpp

Revision 3335 - (view) (annotate) - [select for diffs]
Modified Thu Jan 24 21:38:53 2008 UTC (16 years, 5 months ago) by chuckv
File length: 8351 byte(s)
Diff to previous 3319

Fixed for MPI.

Revision 3319 - (view) (annotate) - [select for diffs]
Added Wed Jan 23 03:45:33 2008 UTC (16 years, 5 months ago) by gezelter
File length: 8317 byte(s)

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.

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