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quacc
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Issues
A
src\quacc\types.py
 9 -
A
src\quacc\recipes\espresso\core.py
0 2 -
A
src\quacc\recipes\onetep\_base.py
0 2 -
A
src\quacc\calculators\qchem\__init__.py
 4 -
A
src\quacc\recipes\psi4\__init__.py
 2 -
A
src\quacc\recipes\gaussian\_base.py
0 3 -
A
.github\ISSUE_TEMPLATE\bug.yaml
 5 -
A
src\quacc\recipes\gulp\__init__.py
 2 -
A
tests\core\calculators\vasp\test_setups.yaml
 3 -
A
src\quacc\recipes\newtonnet\__init__.py
 2 -
A
src\quacc\recipes\onetep\core.py
0 2 -
A
.codecov.yml
 4 -
A
src\quacc\runners\_base.py
0 3 -
A
tests\core\recipes\emt_recipes\test_emt_defect_recipes.py
0 3 -
B
tests\core\calculators\vasp\test_vasp.py
0 29 1
A
src\quacc\schemas\torchsim.py
 4 -
A
src\quacc\recipes\qchem\__init__.py
 4 -
A
.github\dependabot.yml
 3 -
A
src\quacc\calculators\espresso\presets\esm_semiconductors_slab_efficiency.yaml
 3 -
A
src\quacc\calculators\vasp\presets\magmoms_qmof.yaml
 2 -