diff --git a/quacc/recipes/gulp/core.py b/quacc/recipes/gulp/core.py index e41dea4e70..a21a523ce9 100644 --- a/quacc/recipes/gulp/core.py +++ b/quacc/recipes/gulp/core.py @@ -58,12 +58,12 @@ def make(self, atoms: Atoms) -> Dict[str, Any]: default_keywords = { "gfnff": self.gfnff, - "gwolf": True if self.gfnff and atoms.pbc.any() else False, + "gwolf": bool(self.gfnff and atoms.pbc.any()), } default_options = { "dump every gulp.res": True, - "output cif gulp.cif": True if atoms.pbc.any() else False, - "output xyz gulp.xyz": False if atoms.pbc.any() else True, + "output cif gulp.cif": bool(atoms.pbc.any()), + "output xyz gulp.xyz": not atoms.pbc.any(), } keywords = merge_dicts( @@ -138,14 +138,14 @@ def make(self, atoms: Atoms) -> Dict[str, Any]: default_keywords = { "opti": True, "gfnff": self.gfnff, - "gwolf": True if self.gfnff and atoms.pbc.any() else False, - "conp": True if self.volume_relax and atoms.pbc.any() else False, - "conv": True if not self.volume_relax or not atoms.pbc.any() else False, + "gwolf": bool(self.gfnff and atoms.pbc.any()), + "conp": bool(self.volume_relax and atoms.pbc.any()), + "conv": bool(not self.volume_relax or not atoms.pbc.any()), } default_options = { "dump every gulp.res": True, - "output cif gulp.cif": True if atoms.pbc.any() else False, - "output xyz gulp.xyz": False if atoms.pbc.any() else True, + "output cif gulp.cif": bool(atoms.pbc.any()), + "output xyz gulp.xyz": not atoms.pbc.any(), } keywords = merge_dicts(