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iodata
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Issues
A
docs\example_scripts\write_gaussian_com_lot.py
 1 -
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docs\example_scripts\write_gaussian_com_template.py
 1 -
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docs\gen_formats.py
14 2 -
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docs\gen_formats_tab.py
27 2 -
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docs\gen_inputs.py
9 2 -
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docs\requirements.txt
 3 -
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iodata\__init__.py
 6 -
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iodata\__main__.py
2 7 -
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iodata\api.py
31 24 -
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iodata\attrutils.py
38 7 2
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iodata\basis.py
8 22 -
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iodata\convert.py
22 4 -
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iodata\docstrings.py
19 13 -
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iodata\formats\charmm.py
9 8 -
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iodata\formats\chgcar.py
11 8 -
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iodata\formats\cp2klog.py
52 13 1
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iodata\formats\cube.py
17 14 -
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iodata\formats\extxyz.py
26 9 -
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iodata\formats\fchk.py
108 27 2
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iodata\formats\fcidump.py
27 8 -