freebsd-ports/science/libgridxc/pkg-descr

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A library to compute the exchange and correlation energy and potential in
spherical (i.e. an atom) or periodic systems. It is based on SiestaXC.
The project is based on the SiestaXC code, and eventually will produce a package
to be included in the Electronic Structure Library.
WWW: https://launchpad.net/libgridxc