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update type for MolecularData ccsd amplitudes
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kevinsung committed Jun 2, 2024
1 parent af595fe commit 1e55524
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions python/ffsim/molecular_data.py
Original file line number Diff line number Diff line change
Expand Up @@ -81,8 +81,8 @@ class MolecularData:
mp2_t2: np.ndarray | None = None
# CCSD data
ccsd_energy: float | None = None
ccsd_t1: np.ndarray | None = None
ccsd_t2: np.ndarray | None = None
ccsd_t1: np.ndarray | tuple[np.ndarray, np.ndarray] | None = None
ccsd_t2: np.ndarray | tuple[np.ndarray, np.ndarray, np.ndarray] | None = None
# FCI data
fci_energy: float | None = None
fci_vec: np.ndarray | None = None
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