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.github\workflows\claude.yml
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src\quacc\recipes\gulp\core.py
1 2 -
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tests\core\recipes\espresso_recipes\test_bands.py
2 2 -
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src\quacc\_cli\__init__.py
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tests\core\recipes\gulp_recipes\test_gulp_recipes.py
3 2 -
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src\quacc\recipes\orca\__init__.py
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src\quacc\recipes\common\__init__.py
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.github\scripts\gen_zensical_toml.py
11 2 -
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src\quacc\atoms\ts.py
3 2 -
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src\quacc\calculators\qchem\qchem_custodian.py
8 2 -
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src\quacc\recipes\espresso\phonons.py
6 2 -
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tests\core\recipes\mrcc_recipes\test_mrcc_recipes.py
3 2 -
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src\quacc\schemas\__init__.py
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src\quacc\recipes\mlp\elastic.py
1 2 1
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src\quacc\calculators\__init__.py
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src\quacc\recipes\gaussian\__init__.py
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.github\ISSUE_TEMPLATE\misc.yaml
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src\quacc\schemas\phonons.py
2 2 -
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src\quacc\runners\__init__.py
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src\quacc\recipes\vasp\__init__.py
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