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avoid assigning las.stdout to flas_stdout (MatthewRHermes#111)
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MatthewRHermes committed Aug 7, 2024
1 parent 947b98c commit 582b4c2
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion my_pyscf/mcscf/lasscf_async/crunch.py
Original file line number Diff line number Diff line change
Expand Up @@ -1005,7 +1005,7 @@ def get_pair_lasci (las, frags, inherit_df=False):
if not ((output is None) or (output=='/dev/null')):
output = output + '.' + '.'.join ([str (s) for s in frags])
imol = ImpurityMole (las, output=output, stdout=stdout)
if stdout is None and stdout_dict is not None:
if stdout is None and output is not None and stdout_dict is not None:
stdout_dict[frags] = imol.stdout
imf = ImpurityHF (imol)
if inherit_df and isinstance (las, _DFLASCI):
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