/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/pw_env/ |
H A D | pw_env_types.F | 116 … 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
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/dports/science/cp2k-data/cp2k-7.1.0/src/pw_env/ |
H A D | pw_env_types.F | 116 … 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
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hirshfeld_methods.F | 433 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, &
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H A D | qmmm_image_charge.F | 365 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, &
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H A D | qs_cdft_methods.F | 1184 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)
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H A D | qs_linres_epr_ownutils.F | 802 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, &
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H A D | qs_linres_nmr_shift.F | 128 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, &
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H A D | qs_linres_current.F | 216 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, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hirshfeld_methods.F | 434 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, &
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H A D | qmmm_image_charge.F | 365 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, &
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H A D | qs_cdft_methods.F | 1187 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)
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H A D | qs_linres_epr_ownutils.F | 802 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, &
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H A D | qs_linres_nmr_shift.F | 128 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, &
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H A D | qs_linres_current.F | 222 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, &
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