CHANGELOG.txt
LICENSE.txt
MANIFEST.in
README.md
README.rst
setup.py
tox.ini
opan/__init__.py
opan/const.py
opan/error.py
opan/grad.py
opan/hess.py
opan/output.py
opan/tests.py
opan/xyz.py
opan.egg-info/PKG-INFO
opan.egg-info/SOURCES.txt
opan.egg-info/dependency_links.txt
opan.egg-info/not-zip-safe
opan.egg-info/top_level.txt
opan/test/__init__.py
opan/test/opan_base.py
opan/test/opan_const.py
opan/test/opan_error.py
opan/test/opan_supers.py
opan/test/opan_utils_base.py
opan/test/opan_utils_decorate.py
opan/test/opan_utils_inertia.py
opan/test/opan_utils_vector.py
opan/test/opan_xyz.py
opan/test/orca_engrad.py
opan/test/orca_hess.py
opan/test/utils.py
opan/test/resource/test.trj
opan/test/resource/inertia/C6H6_Planar.hess
opan/test/resource/inertia/C6H6_Planar.xyz
opan/test/resource/inertia/CH3Cl_SymmProl.hess
opan/test/resource/inertia/CH3Cl_SymmProl.xyz
opan/test/resource/inertia/CH4_Spher.hess
opan/test/resource/inertia/CH4_Spher.xyz
opan/test/resource/inertia/Cu_Atom.hess
opan/test/resource/inertia/Cu_Atom.xyz
opan/test/resource/inertia/H2O_Asymm.hess
opan/test/resource/inertia/H2O_Asymm.xyz
opan/test/resource/inertia/HC2Cl_Linear.hess
opan/test/resource/inertia/HC2Cl_Linear.xyz
opan/test/resource/inertia/NH3_SymmObl.hess
opan/test/resource/inertia/NH3_SymmObl.xyz
opan/test/resource/orca/test_orca_v3.0.2.engrad
opan/test/resource/orca/test_orca_v3.0.2.hess
opan/test/resource/orca/test_orca_v3.0.3.engrad
opan/test/resource/orca/test_orca_v3.0.3.hess
opan/utils/__init__.py
opan/utils/base.py
opan/utils/decorate.py
opan/utils/execute.py
opan/utils/inertia.py
opan/utils/symm.py
opan/utils/vector.py
opan/vpt2/__init__.py
opan/vpt2/base.py
opan/vpt2/repo.py