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Issues
A
docs\example_scripts\convert_fchk_xyz_traj_mod2.py
2 1 -
A
iodata\test\test_wfx.py
2 18 -
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iodata\test\test_charmm.py
2 6 -
A
iodata\__main__.py
2 7 -
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iodata\inputs\gaussian.py
2 8 -
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iodata\test\test_utils.py
3 2 -
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iodata\test\test_chgcar.py
4 9 -
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iodata\test\test_gaussianlog.py
4 8 -
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iodata\test\test_molekel.py
5 16 -
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tools\test_harmonics.py
5 1 -
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iodata\test\test_fchk.py
5 18 -
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iodata\test\test_extxyz.py
6 6 -
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iodata\formats\gaussianinput.py
7 6 -
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iodata\test\test_xyz.py
7 8 -
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iodata\formats\poscar.py
8 8 -
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iodata\test\test_poscar.py
8 7 -
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iodata\test\test_fcidump.py
8 7 -
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iodata\basis.py
8 22 -
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iodata\formats\charmm.py
9 8 -
A
docs\gen_inputs.py
9 2 -