Searched refs:wfi_use_guess_method_nr (Results 1 – 10 of 10) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_wf_history_methods.F | 54 wfi_linear_wf_method_nr, wfi_ps_method_nr, wfi_use_guess_method_nr, & 339 CASE (wfi_use_guess_method_nr) 440 CASE (wfi_use_guess_method_nr) 520 actual_extrapolation_method_nr = wfi_use_guess_method_nr 533 actual_extrapolation_method_nr = wfi_use_guess_method_nr 651 CASE (wfi_use_guess_method_nr) 1126 CASE (wfi_use_guess_method_nr, wfi_use_prev_wf_method_nr, &
|
H A D | qs_scf_initialization.F | 50 pulay_mix, wfi_frozen_method_nr, wfi_ps_method_nr, wfi_use_guess_method_nr 1141 extrapolation_method_nr = wfi_use_guess_method_nr 1150 (.NOT. (extrapolation_method_nr == wfi_use_guess_method_nr))) THEN 1176 IF (extrapolation_method_nr == wfi_use_guess_method_nr) THEN
|
H A D | input_constants.F | 228 INTEGER, PARAMETER, PUBLIC :: wfi_use_guess_method_nr = 0, & variable
|
H A D | qs_environment.F | 101 wfi_linear_wf_method_nr, wfi_ps_method_nr, wfi_use_guess_method_nr, xc_vdw_fun_none, & 625 dft_control%qs_control%wf_interpolation_method_nr = wfi_use_guess_method_nr
|
H A D | input_cp2k_dft.F | 96 wfi_ps_method_nr, wfi_use_guess_method_nr, wfi_use_prev_p_method_nr, & 3370 wfi_use_guess_method_nr, &
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_wf_history_methods.F | 54 wfi_linear_wf_method_nr, wfi_ps_method_nr, wfi_use_guess_method_nr, & 339 CASE (wfi_use_guess_method_nr) 440 CASE (wfi_use_guess_method_nr) 520 actual_extrapolation_method_nr = wfi_use_guess_method_nr 533 actual_extrapolation_method_nr = wfi_use_guess_method_nr 651 CASE (wfi_use_guess_method_nr) 1126 CASE (wfi_use_guess_method_nr, wfi_use_prev_wf_method_nr, &
|
H A D | qs_scf_initialization.F | 50 pulay_mix, wfi_frozen_method_nr, wfi_use_guess_method_nr 1117 extrapolation_method_nr = wfi_use_guess_method_nr 1126 (.NOT. (extrapolation_method_nr == wfi_use_guess_method_nr))) THEN 1147 IF (extrapolation_method_nr == wfi_use_guess_method_nr) THEN
|
H A D | input_constants.F | 228 INTEGER, PARAMETER, PUBLIC :: wfi_use_guess_method_nr = 0, & variable
|
H A D | qs_environment.F | 98 wfi_linear_wf_method_nr, wfi_ps_method_nr, wfi_use_guess_method_nr, xc_vdw_fun_none, & 605 dft_control%qs_control%wf_interpolation_method_nr = wfi_use_guess_method_nr
|
H A D | input_cp2k_dft.F | 94 wfi_linear_wf_method_nr, wfi_ps_method_nr, wfi_use_guess_method_nr, & 3170 wfi_use_guess_method_nr, &
|