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Searched refs:av_scheme (Results 1 – 4 of 4) sorted by relevance

/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/ralda/
H A Dtest_ralda_energy_Si.py50 fxc = FXCCorrelation(calc, xc='rALDA', av_scheme='wavevector')
53 fxc = FXCCorrelation(calc, xc='rAPBE', av_scheme='wavevector')
56 fxc = FXCCorrelation(calc, xc='JGMs', av_scheme='wavevector',
60 fxc = FXCCorrelation(calc, xc='CP_dyn', av_scheme='wavevector',
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/response/
H A Dfxckernel_calc.py13 if self.av_scheme is not None:
14 self.tag += '_' + self.av_scheme + '_nspins' + str(self.nspins)
H A Dg0w0.py36 av_scheme=None, Eg=None, argument
223 self.av_scheme = av_scheme
227 if self.av_scheme is not None:
228 assert self.av_scheme == 'wavevector'
337 p('Averaging scheme:', self.av_scheme)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/
H A Dfxc.py41 av_scheme=None, argument
69 self.av_scheme = av_scheme # Either 'density' or 'wavevector'
78 if self.av_scheme is not None:
80 tag += '_' + self.av_scheme
108 if self.av_scheme == 'wavevector':
272 if self.av_scheme == 'density':
1751 if self.av_scheme is None:
1752 self.av_scheme = 'density'
1761 if self.av_scheme == 'density':
1767 self.av_scheme = 'wavevector'
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