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A
docs\requirements.txt
 3 -
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.github\workflows\release.yaml
 3 -
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docs\example_scripts\load_water_foo.py
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iodata\convert.py
41 2 -
A
docs\example_scripts\convert_fchk_molden.py
 2 -
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iodata\test\test_convert.py
32 2 -
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iodata\test\test_utils.py
3 2 -
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docs\gen_inputs.py
9 2 -
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.codecov.yml
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iodata\test\__init__.py
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docs\example_scripts\test_scripts.py
1 1 -
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iodata\test\data\__init__.py
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docs\example_scripts\write_gaussian_com.py
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docs\example_scripts\write_gaussian_com_custom.py
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A
docs\example_scripts\write_gaussian_com_file.py
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docs\example_scripts\convert_fchk_xyz_traj.py
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docs\example_scripts\write_gaussian_com_lot.py
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docs\example_scripts\write_gaussian_com_template.py
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B
iodata\formats\json_qcschema.py
200 1 5
A
iodata\test\test_json_qcschema.py
 1 1