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iodata
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Complexity
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Issues
A
iodata\formats\locpot.py
1 7 -
A
iodata\inputs\gaussian.py
7 7 -
A
docs\gen_formats_tab.py
36 1 1
A
docs\example_scripts\convert_fchk_xyz_traj_mod2.py
2 1 -
A
iodata\formats\mwfn.py
41 10 -
A
.readthedocs.yml
 5 -
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iodata\formats\pdb.py
48 13 2
A
docs\requirements.txt
 3 -
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iodata\formats\qchemlog.py
129 12 4
A
.github\workflows\release.yaml
 3 -
A
iodata\formats\wfn.py
84 25 2
A
iodata\__main__.py
4 8 -
A
iodata\formats\xyz.py
21 10 -
A
docs\example_scripts\load_trajectory.py
 1 -
A
iodata\iodata.py
35 24 -
A
iodata\inputs\orca.py
7 7 -
A
.codecov.yml
 2 -
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docs\_static\css\table.css
 1 -
A
docs\example_scripts\load_water.py
 1 -
A
iodata\basis.py
13 24 -