votca / ctp

charge transport module
https://gitlab.mpcdf.mpg.de/votca/votca
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GDMA wrapper or integration #47

Closed GoogleCodeExporter closed 8 years ago

GoogleCodeExporter commented 9 years ago
GDMA currently needs g03 (fixed by someone?)
Basis set provided by an intermediate object (e.g. orbitals)?
Not parallel. Worth parallelization?

Original issue reported on code.google.com by andrienko@googlemail.com on 13 Aug 2013 at 1:42