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Add a fix for if a parameter is None in AimsControlIn
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For the atomate2's phonon workflow the symmetry handling in FHI-aims
must be turned off for the displaced cells for it to work. Adding that
option here
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tpurcell90 committed Mar 20, 2024
1 parent 0ab8707 commit 8c8361a
Showing 1 changed file with 2 additions and 0 deletions.
2 changes: 2 additions & 0 deletions pymatgen/io/aims/inputs.py
Original file line number Diff line number Diff line change
Expand Up @@ -478,6 +478,8 @@ def get_aims_control_parameter_str(self, key: str, value: Any, fmt: str) -> str:
Returns:
str: The line to add to the control.in file
"""
if value is None:
return ""
return f"{key:35s}{fmt % value}\n"

def get_content(
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