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quacc
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Issues
A
.github\workflows\release.yaml
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src\quacc\calculators\espresso\__init__.py
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.github\ISSUE_TEMPLATE\misc.yaml
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src\quacc\calculators\espresso\presets\__init__.py
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.pre-commit-config.yaml
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src\quacc\calculators\espresso\presets\esm_semiconductors_slab_precision.yaml
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src\quacc\calculators\espresso\presets\esm_metal_slab_precision.yaml
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src\quacc\_cli\__init__.py
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src\quacc\calculators\espresso\presets\metal_precision.yaml
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.github\scripts\gen_ref_pages.py
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src\quacc\calculators\espresso\presets\semiconductors_efficiency.yaml
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src\quacc\atoms\__init__.py
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src\quacc\calculators\espresso\presets\sssp_1.3.0_pbe_efficiency.yaml
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.github\ISSUE_TEMPLATE\docs.yaml
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src\quacc\calculators\mrcc\__init__.py
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src\quacc\atoms\defects.py
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.github\ISSUE_TEMPLATE\config.yml
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.github\dependabot.yml
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src\quacc\__init__.py
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src\quacc\calculators\espresso\presets\esm_semiconductors_slab_efficiency.yaml
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