Searched refs:opt_penalty (Results 1 – 4 of 4) sorted by relevance
272 i_val=almo_scf_env%opt_nlmo_pcg%opt_penalty%operator_type)275 r_val=almo_scf_env%opt_nlmo_pcg%opt_penalty%penalty_strength)278 … r_val=almo_scf_env%opt_nlmo_pcg%opt_penalty%penalty_strength_dec_factor)281 r_val=almo_scf_env%opt_nlmo_pcg%opt_penalty%determinant_tolerance)284 r_val=almo_scf_env%opt_nlmo_pcg%opt_penalty%final_determinant)287 … r_val=almo_scf_env%opt_nlmo_pcg%opt_penalty%compactification_filter_start)290 l_val=almo_scf_env%opt_nlmo_pcg%opt_penalty%virtual_nlmos)
1706 IF (almo_scf_env%opt_nlmo_pcg%opt_penalty%virtual_nlmos) THEN1711 IF (almo_scf_env%opt_nlmo_pcg%opt_penalty%compactification_filter_start .GT. 0.0_dp) THEN1741 almo_scf_env%opt_nlmo_pcg%opt_penalty%penalty_strength = &1742 -1.0_dp*almo_scf_env%opt_nlmo_pcg%opt_penalty%penalty_strength !NEW11746 …DO WHILE (almo_scf_env%overlap_determinant .GT. almo_scf_env%opt_nlmo_pcg%opt_penalty%final_determ…1774 almo_scf_env%opt_nlmo_pcg%opt_penalty%penalty_strength = &1775 almo_scf_env%opt_nlmo_pcg%opt_penalty%penalty_strength/ &1776 ABS(almo_scf_env%opt_nlmo_pcg%opt_penalty%penalty_strength_dec_factor)1778 IF (det_diff < almo_scf_env%opt_nlmo_pcg%opt_penalty%determinant_tolerance) THEN1995 eps_start = almo_scf_env%opt_nlmo_pcg%opt_penalty%compactification_filter_start
80 TYPE(penalty_type) :: opt_penalty component
2106 SELECT CASE (optimizer%opt_penalty%operator_type)2165 penalty_amplitude = optimizer%opt_penalty%penalty_strength2303 SELECT CASE (optimizer%opt_penalty%operator_type)2374 IF (optimizer%opt_penalty%operator_type .EQ. op_loc_berry) THEN2892 optimizer%opt_penalty%penalty_strength = 0.0_dp2894 optimizer%opt_penalty%penalty_strength = optimizer%opt_penalty%penalty_strength + &2897 optimizer%opt_penalty%penalty_strength = optimizer%opt_penalty%penalty_strength/nspins2915 print_string, optimizer%opt_penalty%penalty_strength