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)
