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quacc
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Complexity
Churn
Issues
A
tests\core\recipes\espresso_recipes\conftest.py
3 4 -
A
src\quacc\recipes\gulp\__init__.py
 2 -
A
src\quacc\recipes\qchem\ts.py
4 3 -
A
src\quacc\calculators\espresso\presets\esm_metal_slab_precision.yaml
 3 -
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src\quacc\calculators\vasp\presets\__init__.py
 2 -
A
src\quacc\recipes\tblite\__init__.py
 2 -
A
tests\core\recipes\espresso_recipes\test_phonons.py
3 3 -
A
src\quacc\recipes\gulp\core.py
1 2 -
A
tests\core\recipes\gaussian_recipes\test_gaussian_recipes.py
3 3 -
A
src\quacc\calculators\qchem\qchem.py
9 29 -
A
tests\core\recipes\gulp_recipes\test_gulp_recipes.py
3 2 -
A
src\quacc\recipes\lj\core.py
8 2 -
A
tests\core\recipes\mlp_recipes\test_core_recipes.py
12 17 -
A
src\quacc\atoms\ts.py
3 2 -
A
src\quacc\recipes\tblite\core.py
0 2 -
A
src\quacc\calculators\vasp\presets\magmoms_high.yaml
 1 -
A
src\quacc\recipes\tblite\phonons.py
1 27 -
A
src\quacc\recipes\mlp\_base.py
14 14 -
A
.codecov.yml
 4 -
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.github\ISSUE_TEMPLATE\config.yml
 3 -