LICENSE
MANIFEST.in
README.md
pyproject.toml
pymolresponse/__init__.py
pymolresponse/_version.py
pymolresponse/ao2mo.py
pymolresponse/constants.py
pymolresponse/core.py
pymolresponse/cphf.py
pymolresponse/explicit_equations_full.py
pymolresponse/explicit_equations_partial.py
pymolresponse/helpers.py
pymolresponse/integrals.py
pymolresponse/molecular_property.py
pymolresponse/operators.py
pymolresponse/py.typed
pymolresponse/solvers.py
pymolresponse/td.py
pymolresponse/utils.py
pymolresponse.egg-info/PKG-INFO
pymolresponse.egg-info/SOURCES.txt
pymolresponse.egg-info/dependency_links.txt
pymolresponse.egg-info/not-zip-safe
pymolresponse.egg-info/requires.txt
pymolresponse.egg-info/top_level.txt
pymolresponse/data/__init__.py
pymolresponse/interfaces/dalton/__init__.py
pymolresponse/interfaces/dalton/utils.py
pymolresponse/interfaces/psi4/__init__.py
pymolresponse/interfaces/psi4/integrals.py
pymolresponse/interfaces/psi4/molecules.py
pymolresponse/interfaces/psi4/utils.py
pymolresponse/interfaces/pyscf/__init__.py
pymolresponse/interfaces/pyscf/ao2mo.py
pymolresponse/interfaces/pyscf/helpers.py
pymolresponse/interfaces/pyscf/integrals.py
pymolresponse/interfaces/pyscf/molecules.py
pymolresponse/interfaces/pyscf/utils.py
pymolresponse/properties/__init__.py
pymolresponse/properties/ecd.py
pymolresponse/properties/electric.py
pymolresponse/properties/magnetic.py
pymolresponse/properties/optrot.py
pymolresponse/tests/__init__.py
pymolresponse/tests/test_ao2mo.py
pymolresponse/tests/test_calculators.py
pymolresponse/tests/test_final_result.py
pymolresponse/tests/test_hydrogen.py
pymolresponse/tests/test_molecular_property.py
pymolresponse/tests/test_operators.py
pymolresponse/tests/test_rhf.py
pymolresponse/tests/test_runners.py
pymolresponse/tests/test_solvers.py
pymolresponse/tests/test_td.py
pymolresponse/tests/test_uhf.py
pymolresponse/tests/test_uhf_partial_mo_trafo.py
pymolresponse/tests/test_uncoupled.py
pymolresponse/tests/test_utils.py
pymolresponse/tests/properties/test_ecd.py
pymolresponse/tests/properties/test_geometric_hessian.py
pymolresponse/tests/properties/test_magnetic.py
pymolresponse/tests/properties/test_optrot.py
pymolresponse/tests/properties/test_quadratic.py
pymolresponse/tests/properties/test_quadratic_psi4numpy.py
pymolresponse/tests/psi4/test_integrals_psi4.py
pymolresponse/tests/pyscf/test_integrals_pyscf.py
tools/versioningit_override.py