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iodata
29
issues
2
pull requests
110
files
1
active branch
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CodeFactor Rating A
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Grade
Name
Complexity
Churn
Issues
A
docs\example_scripts\write_gaussian_com_custom.py
1
-
A
docs\example_scripts\write_gaussian_com_file.py
1
-
A
docs\example_scripts\convert_fchk_xyz_traj_mod1.py
1
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A
docs\example_scripts\test_scripts.py
1
1
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A
docs\example_scripts\data_representation.py
1
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A
docs\example_scripts\write_gaussian_com_template.py
1
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A
docs\gen_formats_tab.py
36
1
1
A
iodata\test\__init__.py
1
-
A
docs\example_scripts\convert_fchk_xyz_traj_mod2.py
2
1
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A
docs\example_scripts\convert_fchk_xyz_traj.py
1
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A
docs\example_scripts\write_gaussian_com_lot.py
1
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A
docs\example_scripts\load_trajectory.py
1
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B
iodata\formats\json_qcschema.py
200
1
5
A
docs\example_scripts\write_gaussian_com.py
1
-
A
iodata\inputs\__init__.py
1
-
A
iodata\test\test_json_qcschema.py
1
1
A
iodata\test\data\__init__.py
1
-
A
docs\gen_formats.py
15
1
-
A
docs\_static\css\table.css
1
-
A
docs\example_scripts\load_water.py
1
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