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Cleanup CFOUR docstring
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greghjones committed Feb 20, 2024
1 parent 262fe0b commit d16c763
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5 changes: 3 additions & 2 deletions pysisyphus/calculators/CFOUR.py
Original file line number Diff line number Diff line change
Expand Up @@ -116,8 +116,9 @@ def __init__(
Parameters
----------
cfour_input : dict
CFOUR keywords and values. Note: "on" must be encapsulated in quotes to avoid being translated to True by YAML.
keep_molden : bool, optional
CFOUR keywords and values. Note: "on" must be encapsulated
in quotes to avoid being translated to True by YAML.
wavefunction_dump : bool, optional
Whether or not to keep ground state SCF orbitals for each geometry step.
initden_file: str, optional
Path to an input initden file for use as a guess SCF density.
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