def __init__(self, job): results.__init__(self, job) self.order = self.job.order self.res_by_comb = {} self.n_mol = self.job.nfrag self._toten_by_order_ = None
def __init__(self, job): results.__init__(self, job) self.order = self.job.order self.ebmbe_res = job.ebmbe_res self._diffdens_by_order = None self._fitcorr_by_order = None self._coulpot_by_order = None self._xc_by_order_ = None self._kin_by_order_ = None
def __init__(self, j=None): """ Constructor for diracresults. """ results.__init__(self, j)
def __init__(self, j=None): """ Constructor for nwchemresults. """ results.__init__(self, j)
def __init__(self, j=None): results.__init__(self, j) # TODO make this according to the structure of PyADF self.tape10_filename = 'molcasjob.tape10'
def __init__(self, job, frags=None): results.__init__(self, job) self._frags = frags
def __init__(self, job): results.__init__(self, job) self.settings = self.job.settings
def __init__(self, job): results.__init__(self, job) self.settings = self.job.settings self.points = None
def __init__(self, j=None): """ Constructor """ self.resultstype = "Orca results" results.__init__(self, j)