MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).

https://molssi.github.io/QCEngine/

BSD 3-Clause "New" or "Revised" License

163 stars 78 forks source link

Closed loriab closed 2 years ago

loriab commented 2 years ago

Description

Latest psi4 is v1.5 . And mixing release psi4 and nightly deps is trouble in this age of shifting L2.

codecov[bot] commented 2 years ago

Merging #356 (80320cd) into master (2eefbd5) will increase coverage by 3.04%. The diff coverage is n/a.