Searched refs:particles_all (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qmmm_image_charge.F | 418 ra(:) = pbc(qmmm_env%image_charge_pot%particles_all(atom_a)%r, cell) & 419 - pbc(qmmm_env%image_charge_pot%particles_all(atom_b)%r, cell) & 420 + pbc(qmmm_env%image_charge_pot%particles_all(atom_ref)%r, cell) 423 ra(:) = pbc(qmmm_env%image_charge_pot%particles_all(atom_a)%r, cell) 547 ra(:) = pbc(qmmm_env%image_charge_pot%particles_all(atom_a)%r, cell) 817 ra(:, iatom) = qmmm_env%image_charge_pot%particles_all(atom_a)%r(:)
|
H A D | qmmm_types_low.F | 184 TYPE(particle_type), DIMENSION(:), POINTER :: particles_all component 812 image_charge_pot%particles_all, &
|
H A D | qs_collocate_density.F | 1038 ra(:) = pbc(qs_env%qmmm_env_qm%image_charge_pot%particles_all(atom_a)%r, cell) 1144 ra(:) = pbc(qs_env%qmmm_env_qm%image_charge_pot%particles_all(atom_a)%r, cell)
|
H A D | qmmm_init.F | 820 qmmm_env%image_charge_pot%particles_all => subsys_mm%particles%els
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qmmm_image_charge.F | 418 ra(:) = pbc(qmmm_env%image_charge_pot%particles_all(atom_a)%r, cell) & 419 - pbc(qmmm_env%image_charge_pot%particles_all(atom_b)%r, cell) & 420 + pbc(qmmm_env%image_charge_pot%particles_all(atom_ref)%r, cell) 423 ra(:) = pbc(qmmm_env%image_charge_pot%particles_all(atom_a)%r, cell) 542 ra(:) = pbc(qmmm_env%image_charge_pot%particles_all(atom_a)%r, cell) 806 ra(:, iatom) = qmmm_env%image_charge_pot%particles_all(atom_a)%r(:)
|
H A D | qmmm_types_low.F | 184 TYPE(particle_type), DIMENSION(:), POINTER :: particles_all component 812 image_charge_pot%particles_all, &
|
H A D | qmmm_init.F | 820 qmmm_env%image_charge_pot%particles_all => subsys_mm%particles%els
|
H A D | qs_collocate_density.F | 1074 ra(:) = pbc(qs_env%qmmm_env_qm%image_charge_pot%particles_all(atom_a)%r, cell) 1174 ra(:) = pbc(qs_env%qmmm_env_qm%image_charge_pot%particles_all(atom_a)%r, cell)
|