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Searched refs:ewald_section (Results 1 – 13 of 13) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dewald_environment_types.F314 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)
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H A Dcp_ddapc_types.F71 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
H A Dfist_environment.F121 … 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)
H A Dqmmm_per_elpot.F355 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)
H A Dqs_environment.F533 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)
H A Dqmmm_tb_methods.F348 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)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dewald_environment_types.F314 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 …]
H A Dcp_ddapc_types.F71 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
H A Dfist_environment.F121 … 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)
H A Dqmmm_per_elpot.F355 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)
H A Dqs_environment.F553 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)
H A Dqs_tddfpt2_stda_utils.F115 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)
H A Dqmmm_tb_methods.F348 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)