Searched refs:e_contrib (Results 1 – 5 of 5) sorted by relevance
222 Energy_terms e_contrib; in Evaluate() local223 e_contrib.E_static_ext() = in Evaluate()229 e_contrib.E_static_static() = StaticInteraction(); in Evaluate()258 e_contrib.addInternalPolarContrib(PolarEnergy()); in Evaluate()262 e_contrib.E_polar_ext() = PolarEnergy_extern(); in Evaluate()272 << e_contrib.E_static_ext() << std::flush; in Evaluate()279 << e_contrib.E_indu_indu() << std::flush; in Evaluate()283 << e_contrib.E_indu_stat() << std::flush; in Evaluate()287 << e_contrib.E_internal() << std::flush; in Evaluate()291 << e_contrib.E_polar_ext() << std::flush; in Evaluate()[all …]
997 Eigen::MatrixXd e_contrib = numint.IntegratePotential(dftbasis_); in IntegrateExternalDensity() local1018 return Mat_p_Energy(nuc_energy, e_contrib + esp.Matrix()); in IntegrateExternalDensity()
2579 const double e_contrib = 0.5*_dp3(pfq.unitv, val); in cs_advection_field_cw_boundary_f2v_flux() local2581 fluxes[v1] += e_contrib; in cs_advection_field_cw_boundary_f2v_flux()2582 fluxes[v2] += e_contrib; in cs_advection_field_cw_boundary_f2v_flux()