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subroutine, public | qs_o3c_types::init_o3c_container (o3c, nspin, basis_set_list_a, basis_set_list_b, basis_set_list_c, sab_nl, sac_nl, only_bc_same_center) |
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subroutine, public | qs_o3c_types::release_o3c_container (o3c_container) |
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subroutine, public | qs_o3c_types::get_o3c_container (o3c, ijsymmetric, nspin, nijpairs, ijpair, basis_set_list_a, basis_set_list_b, basis_set_list_c, sab_nl, sac_nl) |
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subroutine, public | qs_o3c_types::o3c_iterator_create (o3c, o3c_iterator, nthread) |
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subroutine, public | qs_o3c_types::o3c_iterator_release (o3c_iterator) |
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subroutine, public | qs_o3c_types::get_o3c_iterator_info (o3c_iterator, mepos, iatom, jatom, katom, ikind, jkind, kkind, rij, rik, cellj, cellk, integral, tvec, force_i, force_j, force_k) |
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integer function, public | qs_o3c_types::o3c_iterate (o3c_iterator, mepos) |
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subroutine, public | qs_o3c_types::set_o3c_container (o3c_iterator, mepos, integral, tvec, force_i, force_j, force_k) |
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subroutine, public | qs_o3c_types::o3c_vec_create (o3c_vec, nsize) |
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subroutine, public | qs_o3c_types::o3c_vec_release (o3c_vec) |
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subroutine, public | qs_o3c_types::get_o3c_vec (o3c_vec, i, vec, n) |
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