README.rst
scimple.py
setup.py
scimple.egg-info/PKG-INFO
scimple.egg-info/SOURCES.txt
scimple.egg-info/dependency_links.txt
scimple.egg-info/requires.txt
scimple.egg-info/top_level.txt
scimple_data/CHARGES_phenyl-Fe-porphyirine-CO2-Me_4_rel
scimple_data/adult.txt
scimple_data/ek_InTP_CO2_Me_4_graphene_W_r2_k.dat
scimple_data/phenyl-Fe-porphyirine-CO2-Me_4_rel.xyz