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quacc
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A
.github\scripts\gen_ref_pages.py
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src\quacc\calculators\vasp\vasp_custodian.py
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src\quacc\calculators\espresso\presets\metal_precision.yaml
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src\quacc\recipes\common\__init__.py
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.github\ISSUE_TEMPLATE\docs.yaml
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src\quacc\recipes\common\elastic.py
12 5 -
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src\quacc\calculators\espresso\presets\semiconductors_efficiency.yaml
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src\quacc\recipes\common\slabs.py
8 11 -
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src\quacc\atoms\__init__.py
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src\quacc\recipes\dftb\_base.py
0 4 -
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src\quacc\calculators\espresso\presets\sssp_1.3.0_pbe_efficiency.yaml
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src\quacc\recipes\emt\__init__.py
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src\quacc\recipes\emt\md.py
0 2 -
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src\quacc\recipes\espresso\__init__.py
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src\quacc\recipes\emt\slabs.py
2 30 -
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.codecov.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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src\quacc\calculators\vasp\presets\magmoms_qmof.yaml
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