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iodata
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Issues
A
iodata\test\test_mwfn.py
11 6 -
A
.github\workflows\pytest.yaml
 6 -
A
iodata\test\test_extxyz.py
6 6 -
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iodata\test\test_orbitals.py
90 6 -
A
iodata\test\test_orcalog.py
2 6 -
A
iodata\__init__.py
 6 -
A
iodata\test\test_gaussianinput.py
 6 -
A
iodata\attrutils.py
2 6 -
A
iodata\inputs\common.py
5 6 -
A
iodata\test\test_attrutils.py
20 5 -
A
iodata\test\test_gromacs.py
6 5 -
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iodata\test\test_gamess.py
2 5 -
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.readthedocs.yml
 5 -
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iodata\prepare.py
15 4 -
A
docs\conf.py
7 4 -
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iodata\test\test_api.py
17 4 -
A
tools\harmonics.py
38 4 -
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.github\workflows\release.yaml
 4 -
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iodata\convert.py
41 3 -
A
iodata\overlap_cartpure.py
 3 -