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quacc
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Complexity
Churn
Issues
A
tests\requirements.txt
 102 -
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.github\workflows\tests.yaml
 49 -
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src\quacc\recipes\emt\phonons.py
1 38 -
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src\quacc\recipes\emt\defects.py
2 36 -
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src\quacc\calculators\vasp\params.py
98 34 1
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tests\core\calculators\vasp\test_vasp.py
0 31 -
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src\quacc\recipes\emt\slabs.py
2 30 -
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src\quacc\calculators\qchem\qchem.py
9 29 -
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src\quacc\recipes\tblite\phonons.py
1 27 -
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tests\core\recipes\vasp_recipes\mocked\test_vasp_recipes.py
0 23 -
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src\quacc\calculators\qchem\io.py
12 17 -
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src\quacc\recipes\vasp\fairchem.py
0 17 -
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.pre-commit-config.yaml
 17 -
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src\quacc\settings.py
11 16 -
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src\quacc\recipes\mlp\_base.py
 16 -
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src\quacc\calculators\vasp\vasp.py
28 13 1
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tests\redun\conftest.py
3 13 -
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tests\prefect\conftest.py
5 13 -
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tests\core\recipes\emt_recipes\test_emt_phonons.py
4 13 -
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tests\core\calculators\qchem\test_qchem.py
14 12 -