/
MANIFEST
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/
MANIFEST
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# file GENERATED by distutils, do NOT edit
LICENSE.txt
README.md
setup.py
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\test\__init__.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_inertia.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