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iodata
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A
.readthedocs.yml
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iodata\test\test_orcalog.py
2 6 -
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iodata\test\test_charmm.py
2 6 -
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.github\workflows\pytest.yaml
 6 -
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iodata\test\test_mwfn.py
11 6 -
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iodata\attrutils.py
2 6 -
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iodata\test\test_extxyz.py
6 6 -
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iodata\formats\gaussianinput.py
7 6 -
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iodata\__init__.py
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iodata\inputs\common.py
5 6 -
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iodata\test\test_orbitals.py
90 6 -
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iodata\test\test_gaussianinput.py
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iodata\periodic.py
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iodata\inputs\gaussian.py
7 7 -
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iodata\formats\gromacs.py
10 7 -
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.pre-commit-config.yaml
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iodata\formats\locpot.py
1 7 -
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iodata\formats\orcalog.py
15 7 -
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iodata\test\test_sdf.py
 7 -
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iodata\test\test_poscar.py
8 7 -