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A
iodata\periodic.py
 7 -
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docs\requirements.txt
 3 -
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iodata\test\test_qchemlog.py
 8 -
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docs\_static\css\table.css
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docs\example_scripts\write_gaussian_com_lot.py
 1 -
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docs\example_scripts\load_water_foo.py
 2 -
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.github\workflows\release.yaml
 4 -
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iodata\test\test_gaussianinput.py
 6 -
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iodata\test\test_sdf.py
 7 -
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iodata\test\test_mol2.py
 8 -
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iodata\test\data\__init__.py
 1 -
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docs\example_scripts\load_water.py
 1 -
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iodata\formats\locpot.py
1 7 -
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docs\example_scripts\test_scripts.py
1 1 -
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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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iodata\test\test_charmm.py
2 6 -
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docs\example_scripts\convert_fchk_xyz_traj_mod2.py
2 1 -
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iodata\attrutils.py
2 6 -