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Searched refs:is_becke (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_cdft_methods.F782 LOGICAL :: is_becke, paw_atom local
818 is_becke = (cdft_control%type == outer_scf_becke_constraint)
820 IF (is_becke .AND. .NOT. ASSOCIATED(becke_control)) &
858 … IF (is_becke .AND. (cdft_control%external_control .AND. becke_control%cavity_confine)) THEN
974 LOGICAL :: is_becke, needs_spin_density local
996 is_becke = (cdft_control%type == outer_scf_becke_constraint)
998 IF (is_becke .AND. .NOT. ASSOCIATED(becke_control)) &
1084 IF (is_becke .AND. (cdft_control%external_control .AND. becke_control%cavity_confine)) THEN
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_cdft_methods.F781 LOGICAL :: is_becke, paw_atom local
817 is_becke = (cdft_control%type == outer_scf_becke_constraint)
819 IF (is_becke .AND. .NOT. ASSOCIATED(becke_control)) &
857 … IF (is_becke .AND. (cdft_control%external_control .AND. becke_control%cavity_confine)) THEN
973 LOGICAL :: is_becke, needs_spin_density local
995 is_becke = (cdft_control%type == outer_scf_becke_constraint)
997 IF (is_becke .AND. .NOT. ASSOCIATED(becke_control)) &
1083 IF (is_becke .AND. (cdft_control%external_control .AND. becke_control%cavity_confine)) THEN