| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_types.F | 201 sab_kp => Null() component
361 sab_se, sab_tbe, sab_core, sab_xb, sab_vdw, sab_scp, sab_almo, sab_kp, & argument
389 sap_oce, sab_lrc, sab_se, sab_tbe, sab_core, sab_xb, sab_vdw, sab_scp, sab_almo, sab_kp local
491 IF (PRESENT(sab_kp)) sab_kp => ks_env%sab_kp
616 sab_se, sab_tbe, sab_core, sab_xb, sab_vdw, sab_scp, sab_almo, sab_kp, & argument
639 sap_oce, sab_lrc, sab_se, sab_tbe, sab_core, sab_xb, sab_vdw, sab_scp, sab_almo, sab_kp local
718 IF (PRESENT(sab_kp)) ks_env%sab_kp => sab_kp
872 CALL release_sab(ks_env%sab_kp)
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| H A D | qs_neighbor_lists.F | 327 sab_aux_fit, sab_aux_fit_asymm, sab_aux_fit_vs_orb, sab_cn, sab_core, sab_gcp, sab_kp, & local
367 NULLIFY (sab_kp)
407 sab_kp=sab_kp)
657 CALL build_neighbor_lists(sab_kp, particle_set, atom2d, cell, pair_radius, &
659 CALL set_ks_env(ks_env=ks_env, sab_kp=sab_kp)
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| H A D | qs_environment_types.F | 495 … sab_se, sab_tbe, sab_core, sab_xb, sab_almo, sab_kp, particle_set, energy, force, & argument
536 sab_almo, sab_kp local
814 sab_kp=sab_kp, &
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| H A D | qs_energy_init.F | 284 CALL get_qs_env(qs_env, sab_kp=sab_nl)
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| H A D | qs_band_structure.F | 418 CALL get_qs_env(qs_env, sab_kp=sab_nl, dft_control=dft_control)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_types.F | 201 sab_kp => Null() component
361 sab_se, sab_tbe, sab_core, sab_xb, sab_vdw, sab_scp, sab_almo, sab_kp, & argument
389 sap_oce, sab_lrc, sab_se, sab_tbe, sab_core, sab_xb, sab_vdw, sab_scp, sab_almo, sab_kp local
491 IF (PRESENT(sab_kp)) sab_kp => ks_env%sab_kp
616 sab_se, sab_tbe, sab_core, sab_xb, sab_vdw, sab_scp, sab_almo, sab_kp, & argument
639 sap_oce, sab_lrc, sab_se, sab_tbe, sab_core, sab_xb, sab_vdw, sab_scp, sab_almo, sab_kp local
718 IF (PRESENT(sab_kp)) ks_env%sab_kp => sab_kp
872 CALL release_neighbor_list_sets(ks_env%sab_kp)
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| H A D | qs_neighbor_lists.F | 326 sab_aux_fit, sab_aux_fit_asymm, sab_aux_fit_vs_orb, sab_cn, sab_core, sab_gcp, sab_kp, & local
366 NULLIFY (sab_kp)
406 sab_kp=sab_kp)
656 CALL build_neighbor_lists(sab_kp, particle_set, atom2d, cell, pair_radius, &
658 CALL set_ks_env(ks_env=ks_env, sab_kp=sab_kp)
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| H A D | qs_environment_types.F | 507 … sab_se, sab_tbe, sab_core, sab_xb, sab_almo, sab_kp, particle_set, energy, force, & argument
548 sab_almo, sab_kp local
834 sab_kp=sab_kp, &
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| H A D | qs_energy_init.F | 284 CALL get_qs_env(qs_env, sab_kp=sab_nl)
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| H A D | qs_band_structure.F | 437 CALL get_qs_env(qs_env, sab_kp=sab_nl, dft_control=dft_control)
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