From 7c910d7643d71b128ff46ba3967da5eb3528d3ea Mon Sep 17 00:00:00 2001 From: Elena Date: Mon, 5 Aug 2024 10:47:13 +0200 Subject: [PATCH] remove extra empty lines --- wfl/calculators/castep.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/wfl/calculators/castep.py b/wfl/calculators/castep.py index 7da03d93..2bdba0f9 100644 --- a/wfl/calculators/castep.py +++ b/wfl/calculators/castep.py @@ -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)