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remove extra empty lines
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gelzinyte committed Aug 5, 2024
1 parent 98decdb commit 7c910d7
Showing 1 changed file with 0 additions and 2 deletions.
2 changes: 0 additions & 2 deletions wfl/calculators/castep.py
Original file line number Diff line number Diff line change
Expand Up @@ -61,13 +61,11 @@ def __init__(self, keep_files="default", rundir_prefix="run_CASTEP_",
# make sure we are looking for pspot if path given
kwargs["find_pspots"] = True


# WFLFileIOCalculator is a mixin, will call remaining superclass constructors for us
super().__init__(keep_files=keep_files, rundir_prefix=rundir_prefix,
workdir=workdir, scratchdir=scratchdir, **kwargs)



def calculate(self, atoms=None, properties=_default_properties, system_changes=all_changes):
"""Do the calculation. Handles the working directories in addition to regular
ASE calculation operations (writing input, executing, reading_results)
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