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Searched refs:wfi_use_guess_method_nr (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_wf_history_methods.F54 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 Dqs_scf_initialization.F50 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 Dinput_constants.F228 INTEGER, PARAMETER, PUBLIC :: wfi_use_guess_method_nr = 0, & variable
H A Dqs_environment.F101 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 Dinput_cp2k_dft.F96 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 Dqs_wf_history_methods.F54 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 Dqs_scf_initialization.F50 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 Dinput_constants.F228 INTEGER, PARAMETER, PUBLIC :: wfi_use_guess_method_nr = 0, & variable
H A Dqs_environment.F98 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 Dinput_cp2k_dft.F94 wfi_linear_wf_method_nr, wfi_ps_method_nr, wfi_use_guess_method_nr, &
3170 wfi_use_guess_method_nr, &