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A
iodata\test\test_chgcar.py
4 9 -
A
iodata\test\test_gaussianlog.py
4 8 -
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iodata\__main__.py
4 8 -
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iodata\test\test_utils.py
3 2 -
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iodata\test\test_charmm.py
2 6 -
A
iodata\test\test_gamess.py
2 5 -
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iodata\test\test_orcalog.py
2 6 -
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iodata\test\test_locpot.py
2 8 -
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docs\example_scripts\convert_fchk_xyz_traj_mod2.py
2 1 -
A
iodata\attrutils.py
2 6 -
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docs\example_scripts\test_scripts.py
1 1 -
A
iodata\formats\locpot.py
1 7 -
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docs\example_scripts\load_water_foo.py
 2 -
A
iodata\overlap_cartpure.py
 3 -
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iodata\periodic.py
 7 -
A
iodata\test\__init__.py
 1 -
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iodata\test\data\__init__.py
 1 -
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docs\example_scripts\write_gaussian_com.py
 1 -
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.github\workflows\sphinx.yaml
 3 -
A
docs\example_scripts\convert_fchk_molden.py
 2 -