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 D | test_pair.py | 42 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:]
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H A D | test_pdens_tool.py | 83 for t, (domainarg_d, n_nmG, 95 n_nmG, df_nm,
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/response/ |
H A D | tool.py | 100 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
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H A D | chi0.py | 900 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)
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H A D | pair.py | 1092 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
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