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Diffstat (limited to 'sci-chemistry/erkale/metadata.xml')
| -rw-r--r-- | sci-chemistry/erkale/metadata.xml | 18 |
1 files changed, 18 insertions, 0 deletions
diff --git a/sci-chemistry/erkale/metadata.xml b/sci-chemistry/erkale/metadata.xml new file mode 100644 index 000000000..d7f4de893 --- /dev/null +++ b/sci-chemistry/erkale/metadata.xml @@ -0,0 +1,18 @@ +<?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> |