Searched refs:pao_section (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | pao_input.F | 73 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 …]
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H A D | dm_ls_scf_create.F | 185 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | pao_input.F | 73 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 …]
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H A D | dm_ls_scf_create.F | 184 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)
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