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A
src\quacc\calculators\espresso\presets\sssp_1.3.0_pbe_efficiency.yaml
 4 -
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.github\scripts\gen_zensical_toml.py
11 2 -
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src\quacc\atoms\defects.py
5 3 -
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src\quacc\calculators\espresso\presets\tough_metal_clusters_efficiency.yaml
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src\quacc\atoms\deformation.py
1 2 -
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.github\workflows\docs.yaml
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src\quacc\atoms\phonons.py
2 3 -
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src\quacc\calculators\espresso\presets\metal_efficiency.yaml
 3 -
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src\quacc\_cli\quacc.py
10 3 -
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src\quacc\calculators\espresso\presets\molecule_efficiency.yaml
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.github\scripts\gen_ref_pages.py
 2 -
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src\quacc\calculators\espresso\presets\semiconductors_precision.yaml
 3 -
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src\quacc\atoms\core.py
18 6 -
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src\quacc\calculators\espresso\presets\sssp_1.3.0_pbe_precision.yaml
 2 -
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.github\ISSUE_TEMPLATE\docs.yaml
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.github\ISSUE_TEMPLATE\bug.yaml
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.github\ISSUE_TEMPLATE\idea.yaml
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.github\workflows\release.yaml
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src\quacc\atoms\ts.py
3 2 -
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src\quacc\calculators\__init__.py
 2 -