GitHub - mczwier/orca-tools: Some scripts for dealing with Orca quantum chemistry calculations

mczwier / orca-tools Public

Some scripts for dealing with Orca quantum chemistry calculations

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Name		Name	Last commit message	Last commit date
Latest commit History 13 Commits
.gitignore		.gitignore
elements.py		elements.py
gen_orbitals.py		gen_orbitals.py
jmol_orbital_browser.py		jmol_orbital_browser.py
nudge_structure.py		nudge_structure.py
qcprot.pyx		qcprot.pyx
webmo_to_canonical_xyz.py		webmo_to_canonical_xyz.py
xyz_rmsd.py		xyz_rmsd.py