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overlooked need to set las.fcisolver in init
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MatthewRHermes committed Feb 20, 2024
1 parent 4125802 commit 43ac855
Showing 1 changed file with 3 additions and 0 deletions.
3 changes: 3 additions & 0 deletions my_pyscf/mcscf/lasci.py
Original file line number Diff line number Diff line change
Expand Up @@ -855,6 +855,9 @@ def __init__(self, mf, ncas, nelecas, ncore=None, spin_sub=None, frozen=None, **
@property
def fcisolver (self):
return self._fcisolver_interface
@fcisolver.setter
def fcisolver (self, x):
pass # do nothing so that super().__init__ can finish

def _init_fcibox (self, smult, nel):
s = csf_solver (self.mol, smult=smult)
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