curvy_data (reference) in projects: dports

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Searched refs:curvy_data (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	dm_ls_scf_curvy.F	164 curvy_data%step_size = MAXVAL(curvy_data%step_size) 170 … curvy_data%matrix_dp, filter, curvy_data%fix_shift, curvy_data%shift, & 171 … curvy_data%cg_numer, curvy_data%cg_denom, curvy_data%min_shift) 172 curvy_data%filter_factor = curvy_data%scale_filtercurvy_data%filter_factor 177 IF (curvy_data%energies(1) - curvy_data%energies(2) .GT. 0.0_dp) THEN 178 curvy_data%step_size = curvy_data%step_size2.0_dp 181 curvy_data%step_size = curvy_data%step_size*0.5_dp 186 CALL line_search_2d(curvy_data%energies, curvy_data%step_size) 189 CALL line_search_3pnt(curvy_data%energies, curvy_data%step_size) 198 … curvy_data%line_search_step = MOD(curvy_data%line_search_step, curvy_data%line_search_type) + 1 [all …]
H A D	dm_ls_scf_create.F	228 …CALL section_vals_val_get(curvy_section, "LINE_SEARCH", i_val=ls_scf_env%curvy_data%line_search_ty… 229 … CALL section_vals_val_get(curvy_section, "N_BCH_HISTORY", i_val=ls_scf_env%curvy_data%n_bch_hist) 230 …CALL section_vals_val_get(curvy_section, "MIN_HESSIAN_SHIFT", r_val=ls_scf_env%curvy_data%min_shif… 231 …CALL section_vals_val_get(curvy_section, "FILTER_FACTOR", r_val=ls_scf_env%curvy_data%filter_facto… 232 …CALL section_vals_val_get(curvy_section, "FILTER_FACTOR_SCALE", r_val=ls_scf_env%curvy_data%scale_… 233 CALL section_vals_val_get(curvy_section, "MIN_FILTER", r_val=ls_scf_env%curvy_data%min_filter)
H A D	dm_ls_scf_types.F	`136 TYPE(ls_scf_curvy_type) :: curvy_data component`
H A D	dm_ls_scf.F	`834 CALL deallocate_curvy_data(ls_scf_env%curvy_data)`
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	dm_ls_scf_curvy.F	164 curvy_data%step_size = MAXVAL(curvy_data%step_size) 170 … curvy_data%matrix_dp, filter, curvy_data%fix_shift, curvy_data%shift, & 171 … curvy_data%cg_numer, curvy_data%cg_denom, curvy_data%min_shift) 172 curvy_data%filter_factor = curvy_data%scale_filtercurvy_data%filter_factor 177 IF (curvy_data%energies(1) - curvy_data%energies(2) .GT. 0.0_dp) THEN 178 curvy_data%step_size = curvy_data%step_size2.0_dp 181 curvy_data%step_size = curvy_data%step_size*0.5_dp 186 CALL line_search_2d(curvy_data%energies, curvy_data%step_size) 189 CALL line_search_3pnt(curvy_data%energies, curvy_data%step_size) 198 … curvy_data%line_search_step = MOD(curvy_data%line_search_step, curvy_data%line_search_type) + 1 [all …]
H A D	dm_ls_scf_create.F	225 …CALL section_vals_val_get(curvy_section, "LINE_SEARCH", i_val=ls_scf_env%curvy_data%line_search_ty… 226 … CALL section_vals_val_get(curvy_section, "N_BCH_HISTORY", i_val=ls_scf_env%curvy_data%n_bch_hist) 227 …CALL section_vals_val_get(curvy_section, "MIN_HESSIAN_SHIFT", r_val=ls_scf_env%curvy_data%min_shif… 228 …CALL section_vals_val_get(curvy_section, "FILTER_FACTOR", r_val=ls_scf_env%curvy_data%filter_facto… 229 …CALL section_vals_val_get(curvy_section, "FILTER_FACTOR_SCALE", r_val=ls_scf_env%curvy_data%scale_… 230 CALL section_vals_val_get(curvy_section, "MIN_FILTER", r_val=ls_scf_env%curvy_data%min_filter)
H A D	dm_ls_scf_types.F	`134 TYPE(ls_scf_curvy_type) :: curvy_data component`
H A D	dm_ls_scf.F	`833 CALL deallocate_curvy_data(ls_scf_env%curvy_data)`