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Searched refs:tw_coeff (Results 1 – 5 of 5) sorted by relevance

/dports/science/py-gpaw/gpaw-21.6.0/gpaw/eigensolvers/
H A Dcg.py28 def __init__(self, niter=4, rtol=0.30, tw_coeff=False): argument
44 self.tw_coeff = tw_coeff
70 if self.tw_coeff:
79 ham.vt_sG /= self.tw_coeff
82 ham.dH_asp[a] /= self.tw_coeff
220 if self.tw_coeff: # undo the scaling for calculating energies
222 kpt.eps_n[i] *= self.tw_coeff
223 ham.vt_sG *= self.tw_coeff
226 ham.dH_asp[a] *= self.tw_coeff
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/ofdft/
H A Dtest_ofdft_scale.py25 tw_coeff=lambda_coeff)
34 eigensolver = CG(tw_coeff=lambda_coeff)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/atom/
H A Dall_electron.py36 txt='-', gpernode=150, orbital_free=False, tw_coeff=1.): argument
95 self.tw_coeff = tw_coeff
244 e_j[0] /= self.tw_coeff
275 vr /= self.tw_coeff
338 Ekin *= self.tw_coeff
340 t('Lambda:{0}'.format(self.tw_coeff))
341 t('Correct eigenvalue:{0}'.format(e_j[0] * self.tw_coeff))
H A Dgenerator.py22 orbital_free=False, tw_coeff=1.): argument
25 orbital_free, tw_coeff)
437 vt /= self.tw_coeff
509 vbar *= self.tw_coeff
696 self.dK_jj[j1, j2] *= self.tw_coeff
H A Dgpaw_setup.py125 tw_coeff=opt.tw_coefficient)