2lambda123/dftd3

master

dftd3

Grade	Name	Complexity	Churn	Issues
A	.github\workflows\snorkell-auto-documentation.yml		1	-
A	examples\00-hf_with_dftd3.py		2	-
A	pyscf\dftd3\__init__.py		3	-
F	pyscf\dftd3\itrf.py	23	16	54
A	pyscf\dftd3\test\test_dftd3.py	4	2	-
A	setup.py	10	2	1