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<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<herd>sci-chemistry</herd>
<maintainer>
<email>rei4dan@gmail.com</email>
</maintainer>
<longdescription lang="en">
ERKALE is a quantum chemistry program used to solve the electronic
structure of atoms, molecules and molecular clusters. It was developed at
the University of Helsinki, and is currently developed at Aalto University.
The main use of ERKALE is the computation of x-ray properties, such as
ground-state electron momentum densities and Compton profiles, and core
(x-ray absorption and x-ray Raman scattering) and valence electron
excitation spectra of atoms and molecules.
</longdescription>
</pkgmetadata>
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