Skip to content

Commit

Permalink
update dataclasses
Browse files Browse the repository at this point in the history
  • Loading branch information
TL231 committed Feb 5, 2025
1 parent 46739bf commit edad59c
Show file tree
Hide file tree
Showing 2 changed files with 4 additions and 4 deletions.
Binary file removed src/qibochem/driver/.molecule.py.swp
Binary file not shown.
8 changes: 4 additions & 4 deletions src/qibochem/driver/molecule.py
Original file line number Diff line number Diff line change
Expand Up @@ -41,15 +41,15 @@ class Molecule:
xyz_file: str = None

nelec: int = 0
norb: int = 0
norb: np.ndarray
nso: int = 0
e_hf: float = None
oei: float = None
tei: float = None

ca: int = None
pa: int = None
da: int = None
ca: np.ndarray
pa: np.ndarray
da: np.ndarray
nalpha: int = 0
nbeta: int = 0
e_nuc: float = None
Expand Down

0 comments on commit edad59c

Please sign in to comment.