Quantum-Accelerators/quacc

main

quacc

Grade	Name	Complexity	Churn	Issues
A	.github\ISSUE_TEMPLATE\bug.yaml		5	-
A	.github\ISSUE_TEMPLATE\idea.yaml		4	-
A	.github\workflows\docs.yaml		6	-
A	src\quacc\calculators\qchem\io.py	12	17	-
A	src\quacc\calculators\qchem\params.py	22	11	-
A	src\quacc\calculators\qchem\qchem.py	9	29	-
A	src\quacc\atoms\ts.py	3	2	-
A	src\quacc\calculators\qchem\qchem_custodian.py	8	2	-
A	src\quacc\calculators\vasp\__init__.py		4	-
A	.github\workflows\release.yaml		5	-
A	src\quacc\calculators\__init__.py		2	-
A	src\quacc\calculators\vasp\io.py	6	8	-
A	src\quacc\calculators\espresso\__init__.py		4	-
A	src\quacc\calculators\vasp\presets\DefaultSetGGA.yaml		1	-
A	src\quacc\calculators\vasp\presets\DefaultSetHSE06.yaml		1	-
A	.github\ISSUE_TEMPLATE\misc.yaml		2	-
A	.github\workflows\tests.yaml		38	-
A	src\quacc\calculators\espresso\espresso.py	37	4	-
A	src\quacc\calculators\vasp\presets\DefaultSetHybrid.yaml		3	-
A	src\quacc\calculators\vasp\presets\DefaultSetMetaGGA.yaml		2	-