Comments (1)
Eeeeh, I just found the origin of my problem.
If I take the same script as in the previous mail, but setting symmetry c1
in Psi4, then I get the correct ordering (meaning there is no swapping between 4 <--> 6 and 5 <--> 7 anymore). So that's due to the IRREP.
And indeed in OpenFermion-Psi4, in the _psi4_template
the keyword symmetry c1
is set.
from openfermion-psi4.
Related Issues (13)
- Move to master-based git workflow HOT 1
- Data update problem HOT 3
- Better install instructions HOT 3
- Error in IPython demo file + _psi_template file (?) HOT 4
- ImportError: cannot import name general_basis_change (_psi4_template) HOT 5
- possible issue with basis rotation HOT 5
- Psi4 calculation converges, Openfermionpsi4 plugin calculation doesn't HOT 2
- Cut a new release HOT 2
- Python-based CCSD Amplitudes
- Automatically adding the "missing" amplitudes from Psi4. HOT 7
- unable to run example HOT 1
- Warning: No calculation saved. Psi4 segmentation fault possible. HOT 7
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from openfermion-psi4.