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docs\example_scripts\convert_fchk_molden.py
 2 -
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docs\gen_formats.py
14 2 -
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docs\gen_inputs.py
9 2 -
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iodata\test\test_json_qcschema.py
44 2 1
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.codecov.yml
 2 -
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iodata\test\test_utils.py
3 2 -
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iodata\convert.py
41 3 -
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.github\workflows\sphinx.yaml
 3 -
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iodata\test\test_prepare.py
23 3 -
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iodata\test\test_convert.py
21 3 -
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docs\requirements.txt
 3 -
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iodata\overlap_cartpure.py
 3 -
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iodata\prepare.py
15 4 -
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docs\conf.py
7 4 -
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tools\harmonics.py
38 4 -
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iodata\test\test_api.py
17 4 -
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.github\workflows\release.yaml
 4 -
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iodata\test\test_gromacs.py
6 5 -
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iodata\test\test_gamess.py
2 5 -
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iodata\test\test_attrutils.py
20 5 -