PyFrag
qmworks.packages.SCM.DFTB_Result Member List

This is the complete list of members for qmworks.packages.SCM.DFTB_Result, including all inherited members.

__init__(self, settings, molecule, job_name, plams_dir=None, status='done') (defined in qmworks.packages.SCM.DFTB_Result)qmworks.packages.SCM.DFTB_Result
from_dict(cls, settings, molecule, job_name, archive, status) (defined in qmworks.packages.SCM.DFTB_Result)qmworks.packages.SCM.DFTB_Result
kf (defined in qmworks.packages.SCM.DFTB_Result)qmworks.packages.SCM.DFTB_Result
molecule(self, unit='bohr', internal=False, n=1)qmworks.packages.SCM.DFTB_Result