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Searched defs:get_occupation_numbers (Results 1 – 7 of 7) sorted by relevance

/dports/science/py-ase/ase-3.22.0/ase/calculators/
H A Dabc.py91 def get_occupation_numbers(self, kpt=0, spin=0): member in GetOutputsMixin
H A Dsinglepoint.py148 def get_occupation_numbers(self, kpt=0, spin=0): member in SinglePointDFTCalculator
H A Doctopus.py141 def get_occupation_numbers(self, kpt=0, spin=0): member in Octopus
H A Dinterface.py109 def get_occupation_numbers(self, kpt=0, spin=0): member in DFTCalculator
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/
H A Dhgh.py407 def get_occupation_numbers(self): member in HGHParameterSet
H A Dcalculator.py1767 def get_occupation_numbers(self, kpt=0, spin=0, broadcast=True): member in GPAW
/dports/science/py-ase/ase-3.22.0/ase/calculators/vasp/
H A Dvasp.py746 def get_occupation_numbers(self, kpt=0, spin=0): member in Vasp