Searched refs:all_pot_rad (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_neighbor_lists.F | 308 REAL(dp), ALLOCATABLE, DIMENSION(:) :: all_pot_rad, aux_fit_radius, c_radius, calpha, & local
466 ALLOCATE (all_present(nkind), all_pot_rad(nkind))
467 all_pot_rad = 0.0_dp
563 all_pot_rad(ikind) = 0.0_dp
566 CALL get_potential(potential=all_potential, core_charge_radius=all_pot_rad(ikind))
570 CALL get_potential(potential=sgp_potential, core_charge_radius=all_pot_rad(ikind))
704 CALL pair_radius_setup(orb_present, all_present, orb_radius, all_pot_rad, pair_radius)
939 DEALLOCATE (all_present, all_pot_rad)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_neighbor_lists.F | 309 REAL(dp), ALLOCATABLE, DIMENSION(:) :: all_pot_rad, aux_fit_radius, c_radius, calpha, & local
467 ALLOCATE (all_present(nkind), all_pot_rad(nkind))
468 all_pot_rad = 0.0_dp
564 all_pot_rad(ikind) = 0.0_dp
567 CALL get_potential(potential=all_potential, core_charge_radius=all_pot_rad(ikind))
571 CALL get_potential(potential=sgp_potential, core_charge_radius=all_pot_rad(ikind))
705 CALL pair_radius_setup(orb_present, all_present, orb_radius, all_pot_rad, pair_radius)
940 DEALLOCATE (all_present, all_pot_rad)
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