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Searched refs:auxbas_rs_desc (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/pw_env/
H A Dpw_env_types.F116 … auxbas_pw_pool, auxbas_grid, auxbas_rs_desc, auxbas_rs_grid, rs_descs, rs_grids, lgrid, & argument
126 TYPE(realspace_grid_desc_type), OPTIONAL, POINTER :: auxbas_rs_desc local
150 IF (PRESENT(auxbas_rs_desc)) THEN
151 auxbas_rs_desc => pw_env%rs_descs(pw_env%auxbas_grid)%rs_desc
/dports/science/cp2k-data/cp2k-7.1.0/src/pw_env/
H A Dpw_env_types.F116 … auxbas_pw_pool, auxbas_grid, auxbas_rs_desc, auxbas_rs_grid, rs_descs, rs_grids, lgrid, & argument
126 TYPE(realspace_grid_desc_type), OPTIONAL, POINTER :: auxbas_rs_desc local
150 IF (PRESENT(auxbas_rs_desc)) THEN
151 auxbas_rs_desc => pw_env%rs_descs(pw_env%auxbas_grid)%rs_desc
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhirshfeld_methods.F433 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
440 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, auxbas_rs_grid=rs_rho, &
549 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
558 NULLIFY (pw_env, auxbas_rs_desc)
560 CALL pw_env_get(pw_env=pw_env, auxbas_rs_desc=auxbas_rs_desc, &
H A Dqmmm_image_charge.F365 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
370 NULLIFY (cores, hab, cell, auxbas_rs_desc, pw_env, para_env, &
375 CALL pw_env_get(pw_env=pw_env, auxbas_rs_desc=auxbas_rs_desc, &
480 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
486 NULLIFY (cores, hab, pab, cell, auxbas_rs_desc, pw_env, para_env, &
494 CALL pw_env_get(pw_env=pw_env, auxbas_rs_desc=auxbas_rs_desc, &
H A Dqs_cdft_methods.F1184 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
1190 auxbas_rs_desc, rs_rho_all, rs_rho_constr, cdft_control, &
1228 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, auxbas_rs_grid=rs_rho_all, &
1234 CALL rs_grid_create(rs_rho_constr, auxbas_rs_desc)
1241 CALL rs_grid_create(rs_single(i)%rs_grid, auxbas_rs_desc)
H A Dqs_linres_epr_ownutils.F802 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
806 NULLIFY (cell, dft_control, pw_env, auxbas_rs_desc, auxbas_pw_pool, &
821 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, &
H A Dqs_linres_nmr_shift.F128 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
134 cell, dft_control, pw_env, auxbas_rs_desc, auxbas_pw_pool, jrho_gspace, &
151 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, &
H A Dqs_linres_current.F216 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
223 particle_set, pw_env, auxbas_rs_desc, auxbas_pw_pool, &
471 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhirshfeld_methods.F434 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
441 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, auxbas_rs_grid=rs_rho, &
554 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
563 NULLIFY (pw_env, auxbas_rs_desc)
565 CALL pw_env_get(pw_env=pw_env, auxbas_rs_desc=auxbas_rs_desc, &
H A Dqmmm_image_charge.F365 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
370 NULLIFY (cores, hab, cell, auxbas_rs_desc, pw_env, para_env, &
375 CALL pw_env_get(pw_env=pw_env, auxbas_rs_desc=auxbas_rs_desc, &
485 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
491 NULLIFY (cores, hab, pab, cell, auxbas_rs_desc, pw_env, para_env, &
499 CALL pw_env_get(pw_env=pw_env, auxbas_rs_desc=auxbas_rs_desc, &
H A Dqs_cdft_methods.F1187 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
1193 auxbas_rs_desc, rs_rho_all, rs_rho_constr, cdft_control, &
1231 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, auxbas_rs_grid=rs_rho_all, &
1237 CALL rs_grid_create(rs_rho_constr, auxbas_rs_desc)
1244 CALL rs_grid_create(rs_single(i)%rs_grid, auxbas_rs_desc)
H A Dqs_linres_epr_ownutils.F802 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
806 NULLIFY (cell, dft_control, pw_env, auxbas_rs_desc, auxbas_pw_pool, &
821 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, &
H A Dqs_linres_nmr_shift.F128 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
134 cell, dft_control, pw_env, auxbas_rs_desc, auxbas_pw_pool, jrho_gspace, &
151 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, &
H A Dqs_linres_current.F222 TYPE(realspace_grid_desc_type), POINTER :: auxbas_rs_desc local
229 particle_set, pw_env, auxbas_rs_desc, auxbas_pw_pool, &
477 CALL pw_env_get(pw_env, auxbas_rs_desc=auxbas_rs_desc, &