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A
iodata\formats\locpot.py
1 7 -
A
.github\workflows\pytest.yaml
 9 -
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iodata\formats\molden.py
143 26 3
A
docs\gen_formats_tab.py
27 2 -
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iodata\formats\mwfn.py
34 11 -
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docs\example_scripts\convert_fchk_xyz_traj_mod2.py
2 1 -
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iodata\formats\pdb.py
35 15 1
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docs\requirements.txt
 3 -
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iodata\formats\qchemlog.py
129 12 3
A
.readthedocs.yml
 5 -
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iodata\formats\wfn.py
57 22 -
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iodata\__main__.py
2 7 -
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iodata\formats\xyz.py
21 10 -
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docs\example_scripts\load_trajectory.py
 1 -
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iodata\attrutils.py
38 7 2
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.codecov.yml
 2 -
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.github\workflows\release.yaml
 5 -
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docs\_static\css\table.css
 1 -
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docs\example_scripts\load_water.py
 1 -
A
iodata\basis.py
8 22 -