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Searched refs:surf_dipole (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_energy_types.F70 surf_dipole, & component
191 qs_energy%surf_dipole = 0.0_dp
H A Dsurface_dipole.F267 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)
H A Dqs_ks_methods.F469 energy%hartree = energy%hartree + energy%surf_dipole
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_energy_types.F68 surf_dipole, & component
188 qs_energy%surf_dipole = 0.0_dp
H A Dsurface_dipole.F235 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)
H A Dqs_ks_methods.F464 energy%hartree = energy%hartree + energy%surf_dipole