MANIFEST.in
README.md
requirements.txt
setup.cfg
setup.py
exatomic/__init__.py
exatomic/_version.py
exatomic/base.py
exatomic/formula.py
exatomic/mpl.py
exatomic/static.py
exatomic.egg-info/PKG-INFO
exatomic.egg-info/SOURCES.txt
exatomic.egg-info/dependency_links.txt
exatomic.egg-info/not-zip-safe
exatomic.egg-info/requires.txt
exatomic.egg-info/top_level.txt
exatomic/adf/__init__.py
exatomic/adf/editor.py
exatomic/adf/inputs.py
exatomic/adf/output.py
exatomic/adf/adf/__init__.py
exatomic/adf/adf/adf.py
exatomic/adf/adf/geometry.py
exatomic/adf/adf/output.py
exatomic/adf/adf/scf.py
exatomic/adf/dirac/__init__.py
exatomic/adf/dirac/dirac.py
exatomic/adf/nmr/__init__.py
exatomic/adf/nmr/output.py
exatomic/adf/nmr/tests/__init__.py
exatomic/adf/nmr/tests/test_output.py
exatomic/adf/tests/__init__.py
exatomic/adf/tests/test_editor.py
exatomic/adf/tests/test_output.py
exatomic/algorithms/__init__.py
exatomic/algorithms/angles.py
exatomic/algorithms/basis.py
exatomic/algorithms/car2sph.py
exatomic/algorithms/delocalization.py
exatomic/algorithms/diffusion.py
exatomic/algorithms/displacement.py
exatomic/algorithms/distance.py
exatomic/algorithms/geometry.py
exatomic/algorithms/harmonics.py
exatomic/algorithms/indexing.py
exatomic/algorithms/interpolation.py
exatomic/algorithms/neighbors.py
exatomic/algorithms/numerical.py
exatomic/algorithms/orbital.py
exatomic/algorithms/orbital_util.py
exatomic/algorithms/overlap.py
exatomic/algorithms/packing.py
exatomic/algorithms/pcf.py
exatomic/algorithms/tests/__init__.py
exatomic/algorithms/tests/test_basis.py
exatomic/algorithms/tests/test_distance.py
exatomic/algorithms/tests/test_geometry.py
exatomic/algorithms/tests/test_numerical.py
exatomic/algorithms/tests/test_orbital.py
exatomic/algorithms/tests/test_overlap.py
exatomic/conf/logging.yml
exatomic/core/__init__.py
exatomic/core/atom.py
exatomic/core/basis.py
exatomic/core/editor.py
exatomic/core/error.py
exatomic/core/field.py
exatomic/core/frame.py
exatomic/core/gradient.py
exatomic/core/matrices.py
exatomic/core/molecule.py
exatomic/core/orbital.py
exatomic/core/tensor.py
exatomic/core/two.py
exatomic/core/universe.py
exatomic/core/tests/__init__.py
exatomic/core/tests/test_atom.py
exatomic/core/tests/test_basis.py
exatomic/core/tests/test_matrices.py
exatomic/gaussian/__init__.py
exatomic/gaussian/editor.py
exatomic/gaussian/inputs.py
exatomic/gaussian/output.py
exatomic/gaussian/tests/__init__.py
exatomic/gaussian/tests/test_editor.py
exatomic/gaussian/tests/test_inputs.py
exatomic/gaussian/tests/test_output.py
exatomic/interfaces/__init__.py
exatomic/interfaces/cclib.py
exatomic/interfaces/cube.py
exatomic/interfaces/pdb.py
exatomic/interfaces/xyz.py
exatomic/interfaces/tests/__init__.py
exatomic/interfaces/tests/test_cube.py
exatomic/interfaces/tests/test_xyz.py
exatomic/molcas/__init__.py
exatomic/molcas/editor.py
exatomic/molcas/inputs.py
exatomic/molcas/output.py
exatomic/molcas/tests/__init__.py
exatomic/molcas/tests/test_editor.py
exatomic/molcas/tests/test_inputs.py
exatomic/molcas/tests/test_output.py
exatomic/nbo/__init__.py
exatomic/nbo/editor.py
exatomic/nbo/inputs.py
exatomic/nbo/output.py
exatomic/nwchem/__init__.py
exatomic/nwchem/basis.py
exatomic/nwchem/editor.py
exatomic/nwchem/inputs.py
exatomic/nwchem/output.py
exatomic/nwchem/tests/__init__.py
exatomic/nwchem/tests/test_output.py
exatomic/plotter/__init__.py
exatomic/plotter/plot.py
exatomic/qchem/__init__.py
exatomic/qchem/editor.py
exatomic/qchem/inputs.py
exatomic/qchem/output.py
exatomic/qe/__init__.py
exatomic/qe/types.py
exatomic/qe/__pw/__init__.py
exatomic/qe/__pw/classes.py
exatomic/qe/__pw/composer.py
exatomic/qe/__pw/footer.py
exatomic/qe/__pw/header.py
exatomic/qe/__pw/input.py
exatomic/qe/__pw/output.py
exatomic/qe/__pw/parsers.py
exatomic/qe/__pw/scf.py
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exatomic/qe/core/__init__.py
exatomic/qe/core/atomic_positions.py
exatomic/qe/core/base.py
exatomic/qe/cp/__init__.py
exatomic/qe/cp/dynamics.py
exatomic/qe/psp/__init__.py
exatomic/qe/psp/jobfile.py
exatomic/qe/psp/upf.py
exatomic/qe/pw/__init__.py
exatomic/qe/pw/classes.py
exatomic/qe/pw/composer.py
exatomic/qe/pw/footer.py
exatomic/qe/pw/header.py
exatomic/qe/pw/input.py
exatomic/qe/pw/output.py
exatomic/qe/pw/parsers.py
exatomic/qe/pw/scf.py
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exatomic/static/3nir.pdb
exatomic/static/H2O.traj.xyz
exatomic/static/atom_frame.hdf
exatomic/static/comments.xyz
exatomic/static/exatomic_demo.ipynb
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exatomic/static/single.xyz
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exatomic/static/molcas/mol-zno2-dz.overlap
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exatomic/static/nwchem/nw-methyloxirane-def2tzvp-roa.out
exatomic/static/nwchem/nw-naproxen-def2tzvp-roa.out
exatomic/static/nwchem/dft/H2O-CAMB3LYP.out
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exatomic/static/nwchem/dft/H2O-noscf.out
exatomic/static/nwchem/dft/UO2-SODFT.out
exatomic/static/nwchem/dft/c-fon-core.out
exatomic/static/nwchem/dft/c-fon-unres.out
exatomic/static/nwchem/dft/c-fon.out
exatomic/static/nwchem/pspw/hema10.tar
exatomic/static/nwchem/scf/Dimer.out
exatomic/static/nwchem/scf/He-prjbas.out
exatomic/static/nwchem/scf/heme6a1-frag.out
exatomic/static/qe/qe.cel
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exatomic/static/va/zpvc/va-zpvc-nitro_nmr.tar.bz
exatomic/static/xyz/inorganics/H2.xyz
exatomic/static/xyz/inorganics/H2O.xyz
exatomic/static/xyz/inorganics/O2.xyz
exatomic/static/xyz/inorganics/UCl6.xyz
exatomic/static/xyz/inorganics/UO2.xyz
exatomic/static/xyz/inorganics/ZnPorphyrin.xyz
exatomic/static/xyz/inorganics/ZrO2.xyz
exatomic/static/xyz/misc/H2O.traj.xyz
exatomic/static/xyz/organics/CH3NH2.xyz
exatomic/static/xyz/organics/benzene.xyz
exatomic/static/xyz/organics/methyl_134_triazole.xyz
exatomic/static/xyz/solids/kaolinite.xyz
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exatomic/tests/__init__.py
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