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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_admm_utils.F455 x_data(irep, 1)%general_parameter%fraction)
526 x_data(irep, 1)%general_parameter%fraction)
841 hfx_fraction = qs_env%x_data(1, 1)%general_parameter%fraction
H A Dhfx_energy_potential.F225 TYPE(hfx_general_type) :: general_parameter local
432 general_parameter = actual_x_data%general_parameter
442 treat_lsd_in_core = general_parameter%treat_lsd_in_core
694 hf_fraction = general_parameter%fraction
H A Dhfx_derivatives.F197 TYPE(hfx_general_type) :: general_parameter local
378 general_parameter = actual_x_data%general_parameter
410 hf_fraction = general_parameter%fraction
H A Dmp2.F1442 hfx_fraction = qs_env%x_data(1, 1)%general_parameter%fraction
1443 qs_env%x_data(:, :)%general_parameter%fraction = 0.0_dp
1494 qs_env%x_data(:, :)%general_parameter%fraction = hfx_fraction
H A Dhfx_types.F492 TYPE(hfx_general_type) :: general_parameter component
632 actual_x_data%general_parameter%fraction = real_val
638 actual_x_data%general_parameter%treat_lsd_in_core = logic_val
2689 "HFX_INFO| FRACTION: ", x_data%general_parameter%fraction
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhfx_types.F374 TYPE(hfx_general_type) :: general_parameter component
501 actual_x_data%general_parameter%fraction = real_val
507 actual_x_data%general_parameter%treat_lsd_in_core = logic_val
1858 "HFX_INFO| FRACTION: ", x_data%general_parameter%fraction
H A Dhfx_energy_potential.F225 TYPE(hfx_general_type) :: general_parameter local
432 general_parameter = actual_x_data%general_parameter
442 treat_lsd_in_core = general_parameter%treat_lsd_in_core
694 hf_fraction = general_parameter%fraction
H A Dhfx_derivatives.F194 TYPE(hfx_general_type) :: general_parameter local
372 general_parameter = actual_x_data%general_parameter
404 hf_fraction = general_parameter%fraction
H A Dmp2.F1441 hfx_fraction = qs_env%x_data(1, 1)%general_parameter%fraction
1442 qs_env%x_data(:, :)%general_parameter%fraction = 0.0_dp
1493 qs_env%x_data(:, :)%general_parameter%fraction = hfx_fraction
H A Dhfx_admm_utils.F662 hfx_fraction = qs_env%x_data(1, 1)%general_parameter%fraction