Psi4Mate

Toolkit for running psi4

#python=python 10 env #conda install psi4 python=3.10 -c conda-forge/label/libint_dev -c conda-forge #conda install -c conda-forge pydantic==1.10.7 #conda install resp -c psi4 #conda install -c psi4 dftd3 #conda install -c conda-forge pydantic==1.10.7

! mamba create -n p4env python=3.10 pydantic=1.10.7 rdkit resp psi4 dftd3 -c psi4 -c conda-forge -y