Lines Matching refs:paw_atom
181 LOGICAL :: paw_atom = .FALSE. ! needs atomic rho1 component
286 qs_kind_set(ikind)%paw_atom) THEN
289 (.NOT. qs_kind_set(ikind)%paw_atom)) THEN
429 paw_atom, hard_radius, hard0_radius, max_rad_local, & argument
458 LOGICAL, INTENT(OUT), OPTIONAL :: paw_atom local
638 IF (PRESENT(paw_atom)) paw_atom = qs_kind%paw_atom
831 LOGICAL :: dft_plus_u_atom, paw_atom local
894 paw_atom=paw_atom, &
1124 IF (paw_atom) THEN
1250 LOGICAL :: gpw, my_mod_control, paw_atom local
1280 qs_control%gapw_control%eps_fit, rc, paw_atom, &
1283 CALL set_qs_kind(qs_kind=qs_kind, paw_atom=paw_atom)
1285 IF (paw_atom) THEN
1327 LOGICAL :: nlcc, nlcc_type, paw_atom local
1341 CALL get_qs_kind(qs_kind, paw_atom=paw_atom)
1342 IF (paw_atom) THEN
2645 SUBROUTINE set_qs_kind(qs_kind, paw_atom, ghost, floating, hard_radius, hard0_radius, & argument
2652 LOGICAL, INTENT(IN), OPTIONAL :: paw_atom, ghost, floating local
2677 IF (PRESENT(paw_atom)) qs_kind%paw_atom = paw_atom
2775 IF (qs_kind%paw_atom) THEN