Searched refs:first_sgf_atom (Results 1 – 4 of 4) sorted by relevance
263 INTEGER, ALLOCATABLE, DIMENSION(:) :: first_sgf_atom local313 ALLOCATE (first_sgf_atom(natom))314 first_sgf_atom(:) = 0316 CALL get_particle_set(particle_set, qs_kind_set, first_sgf=first_sgf_atom)367 sgfb = first_sgf_atom(jatom)377 sgfa = first_sgf_atom(iatom)417 IF (ALLOCATED(first_sgf_atom)) THEN418 DEALLOCATE (first_sgf_atom)
325 ALLOCATE (first_sgf_atom(natom))326 first_sgf_atom(:) = 01614 ALLOCATE (first_sgf_atom(natom))1615 first_sgf_atom(:) = 01667 sgf = first_sgf_atom(iatom)1683 sgf = first_sgf_atom(jatom)1692 sgf = first_sgf_atom(iatom)1968 sgf = first_sgf_atom(iatom)1980 sgf = first_sgf_atom(jatom)2011 IF (ALLOCATED(first_sgf_atom)) THEN[all …]