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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_loc_methods.F166 max_crazy_angle, start_time, & local
183 max_crazy_angle = qs_loc_env%localized_wfn_control%max_crazy_angle
212 …crazy_rotations(weights, zij_fm_set, vectors, max_iter=max_iter, max_crazy_angle=max_crazy_angle, &
H A Dqs_loc_types.F134 REAL(KIND=dp) :: max_crazy_angle component
H A Dqs_localization_methods.F738 …SUBROUTINE crazy_rotations(weights, zij, vectors, max_iter, max_crazy_angle, crazy_scale, crazy_us… argument
744 REAL(KIND=dp), INTENT(IN) :: max_crazy_angle local
780 limit_crazy_angle = max_crazy_angle
H A Dqs_loc_utils.F1481 r_val=localized_wfn_control%max_crazy_angle)
1666 "LOCALIZE| maximum angle: ", localized_wfn_control%max_crazy_angle
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_loc_methods.F166 max_crazy_angle, start_time, & local
183 max_crazy_angle = qs_loc_env%localized_wfn_control%max_crazy_angle
212 …crazy_rotations(weights, zij_fm_set, vectors, max_iter=max_iter, max_crazy_angle=max_crazy_angle, &
H A Dqs_loc_types.F134 REAL(KIND=dp) :: max_crazy_angle component
H A Dqs_localization_methods.F738 …SUBROUTINE crazy_rotations(weights, zij, vectors, max_iter, max_crazy_angle, crazy_scale, crazy_us… argument
744 REAL(KIND=dp), INTENT(IN) :: max_crazy_angle local
780 limit_crazy_angle = max_crazy_angle
H A Dqs_loc_utils.F1453 r_val=localized_wfn_control%max_crazy_angle)
1638 "LOCALIZE| maximum angle: ", localized_wfn_control%max_crazy_angle