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iodata
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Issues
A
docs\conf.py
7 4 -
A
iodata\prepare.py
15 4 -
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iodata\formats\charmm.py
9 8 -
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iodata\test\common.py
22 21 -
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iodata\test\test_gaussianinput.py
 6 -
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iodata\test\test_api.py
17 4 -
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docs\example_scripts\write_gaussian_com.py
 1 -
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iodata\test\test_basis.py
20 14 -
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.github\workflows\sphinx.yaml
 3 -
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iodata\test\test_chgcar.py
4 9 -
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iodata\formats\extxyz.py
30 8 -
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iodata\test\test_convert.py
21 3 -
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iodata\test\test_inputs.py
 10 -
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iodata\test\test_mol2.py
 8 -
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iodata\test\test_locpot.py
2 8 -
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iodata\test\test_gromacs.py
6 5 -
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iodata\test\test_fchk.py
61 17 -
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docs\example_scripts\load_water.py
 1 -
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iodata\basis.py
13 22 -
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iodata\iodata.py
35 24 -