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

/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/response/
H A Dtest_pair.py42 n_nmG = pair.get_pair_density(pd, kptpair, np.arange(0, nb),
56 assert not np.isnan(n_nmG).any()
95 lhs_nmG = n2_nmG - G2_G[np.newaxis, np.newaxis] / 2. * n_nmG[...,
97 rhs_nmG = - deps_nm[..., np.newaxis] * n_nmG[..., 2 * ol:]
H A Dtest_pdens_tool.py83 for t, (domainarg_d, n_nmG,
95 n_nmG, df_nm,
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/response/
H A Dtool.py100 n_nmG = pair.get_pair_density(pd, kptpair, n_n, m_m)
105 return n_nmG, df_nm, eps_n, eps_m
132 def get_individual_transition_strengths(n_nmG, df_nm, G1, G2): argument
133 return (df_nm * n_nmG[:, :, G1] * n_nmG[:, :, G2].conj()).real
H A Dchi0.py900 n_nmG = self.pair.get_pair_density(pd, kptpair, n_n, m_m,
904 n_nmG *= weight
910 n_nmG *= df_nm[..., np.newaxis]**0.5
914 nq_nm = np.dot(n_nmG[:, :, :3], q_v)
915 n_nmG = n_nmG[:, :, 2:]
916 n_nmG[:, :, 0] = nq_nm
919 n_nmG = np.copy(n_nmG[:, :, 2:])
923 return n_nmG.reshape(-1, nG + 2 * optical_limit)
925 return n_nmG.reshape(-1, nG)
H A Dpair.py1092 n_nmG = np.zeros((len(n_n), len(m_m), nG + 2 * ol), pd.dtype)
1094 n_nmG = np.zeros((len(n_n), len(m_m), nG), pd.dtype)
1103 n_nmG[j, :, 2 * ol * eh:] = cpd(ut1cc_R, C1_aGi, kpt2, pd, Q_G,
1107 n_nmG[j, :, 0:3] = opd(n, m_m, kpt1, kpt2,
1110 n_nmG[j, :, 0] = opd(n, m_m, kpt1, kpt2,
1112 return n_nmG