GitHub - nonukhan/AtomPy: DFT for atoms

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
Atomic		Atomic
LICENSE		LICENSE
MANIFEST		MANIFEST
MANIFEST.in		MANIFEST.in
README		README
plot_atom.py		plot_atom.py
run_atom.py		run_atom.py
setup.py		setup.py

Repository files navigation

Compile and test in-place:

    python setup.py build_ext -i


Example usage:

    ./run_atom.py --config '[He] 2s2 2p2' -o C.data  C
    ./plot_atom.py C.data