/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | ewald_environment_types.F | 314 SUBROUTINE read_ewald_section(ewald_env, ewald_section) argument 316 TYPE(section_vals_type), POINTER :: ewald_section local 350 CALL section_vals_val_get(ewald_section, "GMAX", i_vals=gmax_read) 436 CALL cp_print_key_finished_output(iw, logger, ewald_section, & 448 SUBROUTINE read_ewald_section_tb(ewald_env, ewald_section, hmat) argument 450 TYPE(section_vals_type), POINTER :: ewald_section local 482 CALL section_vals_val_get(ewald_section, "ALPHA", explicit=explicit) 492 CALL section_vals_val_get(ewald_section, "RCUT", explicit=explicit) 499 CALL section_vals_val_get(ewald_section, "GMAX", explicit=explicit) 501 CALL section_vals_val_get(ewald_section, "GMAX", i_vals=gmax_read) [all …]
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H A D | cp_ddapc_types.F | 71 TYPE(section_vals_type), POINTER :: ewald_section component 146 param_section => cp_ddapc_ewald%ewald_section 281 cp_ddapc_ewald%ewald_section, & 329 cp_ddapc_ewald%ewald_section => multipole_section
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H A D | fist_environment.F | 121 … TYPE(section_vals_type), POINTER :: cell_section, ewald_section, mm_section, & local 137 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 156 CALL read_ewald_section(ewald_env, ewald_section)
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H A D | qmmm_per_elpot.F | 355 TYPE(section_vals_type), POINTER :: ewald_print_section, ewald_section, & local 367 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 368 CALL read_ewald_section(ewald_env, ewald_section)
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H A D | qs_environment.F | 533 ewald_section, lri_section, nl_section, poisson_section, pp_section, print_section, & local 642 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 645 CALL read_ewald_section_tb(ewald_env, ewald_section, cell_ref%hmat) 696 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 698 CALL read_ewald_section_tb(ewald_env, ewald_section, cell_ref%hmat) 1016 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 1019 CALL read_ewald_section(ewald_env, ewald_section)
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H A D | qmmm_tb_methods.F | 348 TYPE(section_vals_type), POINTER :: ewald_section, poisson_section, & local 393 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 394 CALL read_ewald_section(ewald_env, ewald_section) 868 TYPE(section_vals_type), POINTER :: ewald_section, poisson_section, & local 940 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 941 CALL read_ewald_section(ewald_env, ewald_section)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | ewald_environment_types.F | 314 SUBROUTINE read_ewald_section(ewald_env, ewald_section) argument 316 TYPE(section_vals_type), POINTER :: ewald_section local 350 CALL section_vals_val_get(ewald_section, "GMAX", i_vals=gmax_read) 436 CALL cp_print_key_finished_output(iw, logger, ewald_section, & 448 SUBROUTINE read_ewald_section_tb(ewald_env, ewald_section, hmat) argument 450 TYPE(section_vals_type), POINTER :: ewald_section local 482 CALL section_vals_val_get(ewald_section, "ALPHA", explicit=explicit) 492 CALL section_vals_val_get(ewald_section, "RCUT", explicit=explicit) 499 CALL section_vals_val_get(ewald_section, "GMAX", explicit=explicit) 501 CALL section_vals_val_get(ewald_section, "GMAX", i_vals=gmax_read) [all …]
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H A D | cp_ddapc_types.F | 71 TYPE(section_vals_type), POINTER :: ewald_section component 146 param_section => cp_ddapc_ewald%ewald_section 281 cp_ddapc_ewald%ewald_section, & 329 cp_ddapc_ewald%ewald_section => multipole_section
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H A D | fist_environment.F | 121 … TYPE(section_vals_type), POINTER :: cell_section, ewald_section, mm_section, & local 137 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 156 CALL read_ewald_section(ewald_env, ewald_section)
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H A D | qmmm_per_elpot.F | 355 TYPE(section_vals_type), POINTER :: ewald_print_section, ewald_section, & local 367 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 368 CALL read_ewald_section(ewald_env, ewald_section)
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H A D | qs_environment.F | 553 ewald_section, lri_section, mp2_section, nl_section, poisson_section, pp_section, & local 662 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 665 CALL read_ewald_section_tb(ewald_env, ewald_section, cell_ref%hmat) 716 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 718 CALL read_ewald_section_tb(ewald_env, ewald_section, cell_ref%hmat) 1097 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 1100 CALL read_ewald_section(ewald_env, ewald_section)
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H A D | qs_tddfpt2_stda_utils.F | 115 TYPE(section_vals_type), POINTER :: ewald_section, poisson_section, & local 135 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 138 CALL read_ewald_section_tb(ewald_env, ewald_section, cell_ref%hmat)
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H A D | qmmm_tb_methods.F | 348 TYPE(section_vals_type), POINTER :: ewald_section, poisson_section, & local 393 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 394 CALL read_ewald_section(ewald_env, ewald_section) 868 TYPE(section_vals_type), POINTER :: ewald_section, poisson_section, & local 940 ewald_section => section_vals_get_subs_vals(poisson_section, "EWALD") 941 CALL read_ewald_section(ewald_env, ewald_section)
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