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Searched refs:pao_section (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpao_input.F73 pao_section => section_vals_get_subs_vals(input, "DFT%LS_SCF%PAO")
89 CALL section_vals_val_get(pao_section, "EPS_PAO", r_val=pao%eps_pao)
92 CALL section_vals_val_get(pao_section, "MIXING", r_val=pao%mixing)
95 CALL section_vals_val_get(pao_section, "MAX_PAO", i_val=pao%max_pao)
98 CALL section_vals_val_get(pao_section, "MAX_CYCLES", i_val=pao%max_cycles)
104 CALL section_vals_val_get(pao_section, "PRECONDITION", l_val=pao%precondition)
107 CALL section_vals_val_get(pao_section, "REGULARIZATION", r_val=pao%regularization)
112 CALL section_vals_val_get(pao_section, "EPS_PGF", n_rep_val=n_rep)
141 CALL section_vals_val_get(pao_section, "OPTIMIZER", i_val=pao%optimizer)
144 CALL section_vals_val_get(pao_section, "CG_INIT_STEPS", i_val=pao%cg_init_steps)
[all …]
H A Ddm_ls_scf_create.F185 pao_section, pexsi_section local
331 pao_section => section_vals_get_subs_vals(input, "DFT%LS_SCF%PAO")
332 CALL section_vals_get(pao_section, explicit=ls_scf_env%do_pao)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpao_input.F73 pao_section => section_vals_get_subs_vals(input, "DFT%LS_SCF%PAO")
89 CALL section_vals_val_get(pao_section, "EPS_PAO", r_val=pao%eps_pao)
92 CALL section_vals_val_get(pao_section, "MIXING", r_val=pao%mixing)
95 CALL section_vals_val_get(pao_section, "MAX_PAO", i_val=pao%max_pao)
98 CALL section_vals_val_get(pao_section, "MAX_CYCLES", i_val=pao%max_cycles)
104 CALL section_vals_val_get(pao_section, "PRECONDITION", l_val=pao%precondition)
107 CALL section_vals_val_get(pao_section, "REGULARIZATION", r_val=pao%regularization)
112 CALL section_vals_val_get(pao_section, "EPS_PGF", n_rep_val=n_rep)
141 CALL section_vals_val_get(pao_section, "OPTIMIZER", i_val=pao%optimizer)
144 CALL section_vals_val_get(pao_section, "CG_INIT_STEPS", i_val=pao%cg_init_steps)
[all …]
H A Ddm_ls_scf_create.F184 pao_section, pexsi_section local
319 pao_section => section_vals_get_subs_vals(input, "DFT%LS_SCF%PAO")
320 CALL section_vals_get(pao_section, explicit=ls_scf_env%do_pao)