diff --git a/src/tcutility/job/adf.py b/src/tcutility/job/adf.py index 462a2e21..ea184b69 100644 --- a/src/tcutility/job/adf.py +++ b/src/tcutility/job/adf.py @@ -660,8 +660,6 @@ def orbital(self, orbital: "pyfmo.orbitals.sfo.SFO" or "pyfmo.orbitals.mo.MO"): raise TCJobError(job_class=self.__class__.__name__, message="RKF file that was previously set not the same as the one being set now. Please start a new job for each RKF file.") def density(self, orbitals: 'pyfmo.orbitals.Orbitals'): # noqa: F821 - import pyfmo - # check if the ADFFile is the same for all added orbitals if self.settings.ADFFile is None: self.settings.ADFFile = orbitals.kfpath