Related Issues (20)
- PyPI installation of PySCF unreliable
- ImportError: No module named 'pyscf' but OpenFermion-PySCF is installed HOT 2
- Continuous integration testing HOT 1
- run_pyscf does not work on PyscfMolecularData HOT 1
- Example notebook raises warnings HOT 1
- run_pyscf is broken HOT 2
- CC double excitation pre-factor convention HOT 1
- RDM calculation not stored correctly in MolecularData HOT 2
- Set parse_arg option of pyscf.gto.mole.Mole.build to False
- Return none spin summed rdms
- Testing with github actions HOT 1
- Optional disable file saving when `run_pyscf` HOT 1
- Package breaks with latest h5py HOT 1
- Unable to install using pip within Python 3.7.9 environment HOT 4
- Problem with active space feature in "generate_molecular_hamiltonian" HOT 4
- 'PyscfMolecularData' object has no attribute 'general_calculations'
- Permission denied: '08fd403b-e30d-4e78-97d5-dcb570445762.hdf5' -> '/usr/local/lib/python3.9/site-packages/openfermion/testing/data/H2_sto-3g_singlet_0.7414.hdf5'
- 2 tests fail
- Inconsistency in get_molecular_hamiltonian()
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