Searched refs:shm_pmax_atom (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_derivatives.F | 173 max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & local
527 shm_pmax_atom => actual_x_data%pmax_atom
531 shm_pmax_atom => actual_x_data%pmax_atom_forces
538 shm_pmax_atom, &
575 shm_pmax_atom, i_thread, n_threads, &
824 …shm_pmax_block(iatom_block, jatom_block) = MAXVAL(shm_pmax_atom(iatom_start:iatom_end, jatom_start…
1004 pmax_atom = MAX(shm_pmax_atom(katom, iatom) + &
1005 shm_pmax_atom(latom, jatom), &
1006 shm_pmax_atom(latom, iatom) + &
1007 shm_pmax_atom(katom, jatom))
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| H A D | hfx_energy_potential.F | 204 full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & local
749 shm_pmax_atom => shm_master_x_data%pmax_atom
755 shm_pmax_atom, &
777 shm_pmax_atom => shm_master_x_data%pmax_atom
783 shm_pmax_atom, &
864 … kind_of, basis_parameter, shm_initial_p, shm_pmax_atom, i_thread, n_threads, &
1059 …shm_pmax_block(iatom_block, jatom_block) = MAXVAL(shm_pmax_atom(iatom_start:iatom_end, jatom_start…
1228 pmax_atom = MAX(shm_pmax_atom(katom, iatom), &
1229 shm_pmax_atom(latom, jatom), &
1230 shm_pmax_atom(latom, iatom), &
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_derivatives.F | 177 max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & local
533 shm_pmax_atom => actual_x_data%pmax_atom
537 shm_pmax_atom => actual_x_data%pmax_atom_forces
544 shm_pmax_atom, &
581 shm_pmax_atom, i_thread, n_threads, &
830 …shm_pmax_block(iatom_block, jatom_block) = MAXVAL(shm_pmax_atom(iatom_start:iatom_end, jatom_start…
1010 pmax_atom = MAX(shm_pmax_atom(katom, iatom) + &
1011 shm_pmax_atom(latom, jatom), &
1012 shm_pmax_atom(latom, iatom) + &
1013 shm_pmax_atom(katom, jatom))
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| H A D | hfx_energy_potential.F | 204 full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & local
749 shm_pmax_atom => shm_master_x_data%pmax_atom
755 shm_pmax_atom, &
777 shm_pmax_atom => shm_master_x_data%pmax_atom
783 shm_pmax_atom, &
864 … kind_of, basis_parameter, shm_initial_p, shm_pmax_atom, i_thread, n_threads, &
1059 …shm_pmax_block(iatom_block, jatom_block) = MAXVAL(shm_pmax_atom(iatom_start:iatom_end, jatom_start…
1228 pmax_atom = MAX(shm_pmax_atom(katom, iatom), &
1229 shm_pmax_atom(latom, jatom), &
1230 shm_pmax_atom(latom, iatom), &
[all …]
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