pkgsrc-wip/py-gpaw
Kamel Ibn Aziz Derouiche 984f4208fb Import py26-gpaw-0.7.2.6974 as wip/py-gpaw.
A grid-based real-space Projector Augmented Wave (PAW) method Density
Functional Theory (DFT) code featuring: Flexible boundary conditions,
k-points and gradient corrected exchange-correlation functionals
2011-03-07 10:12:56 +00:00
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