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freebsd-ports/science/qbox/pkg-descr
2018-08-31 16:14:56 +00:00

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Qbox is a C++/MPI scalable parallel implementation of first-principles molecular
dynamics (FPMD) based on the plane-wave, pseudopotential formalism. Qbox is
designed for operation on large parallel computers.
Qbox is developed in the Gygi Research Group at UC Davis.
WWW: http://qboxcode.org/