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quacc
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A
.github\workflows\claude.yml
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src\quacc\recipes\espresso\core.py
0 2 -
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src\quacc\calculators\mrcc\mrcc.py
9 2 -
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src\quacc\recipes\espresso\phonons.py
6 2 -
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src\quacc\atoms\phonons.py
2 3 -
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src\quacc\recipes\gaussian\_base.py
0 3 -
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src\quacc\calculators\qchem\io.py
12 17 -
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src\quacc\recipes\gulp\__init__.py
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.github\ISSUE_TEMPLATE\bug.yaml
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src\quacc\recipes\gulp\core.py
1 2 -
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src\quacc\calculators\qchem\qchem.py
9 29 -
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src\quacc\recipes\lj\core.py
8 2 -
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src\quacc\atoms\ts.py
3 2 -
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src\quacc\calculators\vasp\presets\magmoms_high.yaml
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src\quacc\calculators\vasp\__init__.py
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.codecov.yml
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.github\ISSUE_TEMPLATE\config.yml
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.github\dependabot.yml
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src\quacc\__init__.py
4 3 -
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src\quacc\calculators\espresso\presets\esm_semiconductors_slab_efficiency.yaml
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