{"library":"openfermionpyscf","title":"OpenFermion-PySCF","description":"A plugin that interfaces OpenFermion with PySCF, enabling the construction of fermionic Hamiltonians from molecular orbital integrals computed by PySCF. Current version 0.5. Low release cadence; no updates since 2021.","language":"python","status":"active","last_verified":"Fri May 01","install":{"commands":["pip install openfermionpyscf"],"cli":null},"imports":["from openfermionpyscf import run_pyscf"],"auth":{"required":false,"env_vars":[]},"quickstart":{"code":"from openfermion import MolecularData\nfrom openfermionpyscf import run_pyscf\n\n# Set up molecule\nmol = MolecularData(\n    geometry=[('H', (0., 0., 0.)), ('H', (0., 0., 0.7414))],\n    basis='sto-3g',\n    multiplicity=1,\n    charge=0\n)\nmol = run_pyscf(mol)\nprint(mol.get_hamiltonian())","lang":"python","description":"Compute H2 Hamiltonian using OpenFermion and PySCF.","tag":null,"tag_description":null,"last_tested":null,"results":[]},"compatibility":null}