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A
iodata\overlap_cartpure.py
 3 -
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docs\example_scripts\load_water_foo.py
 2 -
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iodata\prepare.py
15 4 -
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iodata\formats\charmm.py
9 8 -
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iodata\test\common.py
15 22 -
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docs\conf.py
1 5 -
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iodata\test\test_api.py
17 4 -
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iodata\test\test_basis.py
20 14 -
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docs\example_scripts\write_gaussian_com.py
 1 -
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iodata\test\test_chgcar.py
4 9 -
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iodata\formats\extxyz.py
26 9 -
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.github\workflows\sphinx.yaml
 5 -
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iodata\inputs\common.py
0 7 -
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iodata\inputs\gaussian.py
2 8 -
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iodata\inputs\orca.py
2 8 -
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iodata\formats\fcidump.py
27 8 -
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.codecov.yml
 2 -
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.github\workflows\release.yaml
 5 -
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docs\_static\css\table.css
 1 -
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docs\example_scripts\load_water.py
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