Searched refs:surf_dipole (Results 1 – 6 of 6) sorted by relevance
70 surf_dipole, & component191 qs_energy%surf_dipole = 0.0_dp
267 energy%surf_dipole = 0.5_dp*accurate_sum(vdip_r%pw%cr3d*wf_r%pw%cr3d)269 CALL mp_sum(energy%surf_dipole, wf_r%pw%pw_grid%para%group)
469 energy%hartree = energy%hartree + energy%surf_dipole
68 surf_dipole, & component188 qs_energy%surf_dipole = 0.0_dp
235 energy%surf_dipole = 0.5_dp*accurate_sum(vdip_r%pw%cr3d*wf_r%pw%cr3d)237 CALL mp_sum(energy%surf_dipole, wf_r%pw%pw_grid%para%group)
464 energy%hartree = energy%hartree + energy%surf_dipole