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Searched refs:ub_k (Results 1 – 11 of 11) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dforce_field_types.F66 REAL(KIND=dp), POINTER :: ub_k(:, :) component
110 REAL(KIND=dp), POINTER :: ub_k(:) component
310 NULLIFY (chm_info%ub_k)
405 NULLIFY (inp_info%ub_k)
599 IF (ASSOCIATED(chm_info%ub_k)) THEN
600 DEALLOCATE (chm_info%ub_k)
847 IF (ASSOCIATED(inp_info%ub_k)) THEN
848 DEALLOCATE (inp_info%ub_k)
H A Dforce_fields_ext.F463 CALL reallocate(chm_info%ub_k, 1, nub)
468 CALL parser_get_object(parser, chm_info%ub_k(nub))
474 chm_info%ub_k(nub), &
478 chm_info%ub_k(nub) = cp_unit_to_cp2k(chm_info%ub_k(nub), "kcalmol*angstrom^-2")
H A Dforce_fields_input.F382 CALL reallocate(inp_info%ub_k, 1, 3, 1, nubs)
385 inp_info%ub_k, inp_info%ub_r0, tmp_section, ntot)
1727 SUBROUTINE read_ubs_section(ub_kind, ub_a, ub_b, ub_c, ub_k, ub_r0, section, start) argument
1731 REAL(KIND=dp), DIMENSION(:, :), POINTER :: ub_k local
1762 ub_k(:, start + isec) = 0.0_dp
1764 ub_k(k, start + isec) = Kvals(k)
H A Dforce_fields_all.F1182 ub_list(j)%ub_kind%k(1) = chm_info%ub_k(k)
1207 ub_list(j)%ub_kind%k(:) = inp_info%ub_k(:, k)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dforce_field_types.F66 REAL(KIND=dp), POINTER :: ub_k(:, :) component
110 REAL(KIND=dp), POINTER :: ub_k(:) component
310 NULLIFY (chm_info%ub_k)
405 NULLIFY (inp_info%ub_k)
599 IF (ASSOCIATED(chm_info%ub_k)) THEN
600 DEALLOCATE (chm_info%ub_k)
847 IF (ASSOCIATED(inp_info%ub_k)) THEN
848 DEALLOCATE (inp_info%ub_k)
H A Dforce_fields_ext.F463 CALL reallocate(chm_info%ub_k, 1, nub)
468 CALL parser_get_object(parser, chm_info%ub_k(nub))
474 chm_info%ub_k(nub), &
478 chm_info%ub_k(nub) = cp_unit_to_cp2k(chm_info%ub_k(nub), "kcalmol*angstrom^-2")
H A Dforce_fields_input.F382 CALL reallocate(inp_info%ub_k, 1, 3, 1, nubs)
385 inp_info%ub_k, inp_info%ub_r0, tmp_section, ntot)
1727 SUBROUTINE read_ubs_section(ub_kind, ub_a, ub_b, ub_c, ub_k, ub_r0, section, start) argument
1731 REAL(KIND=dp), DIMENSION(:, :), POINTER :: ub_k local
1762 ub_k(:, start + isec) = 0.0_dp
1764 ub_k(k, start + isec) = Kvals(k)
H A Dforce_fields_all.F1182 ub_list(j)%ub_kind%k(1) = chm_info%ub_k(k)
1207 ub_list(j)%ub_kind%k(:) = inp_info%ub_k(:, k)
/dports/devel/ppl/ppl-1.2/src/
H A DOctagonal_Shape_templates.hh7709 row_reference ub_k = *(ub_m_begin + k); in upper_bound_assign_if_exact() local
7710 const N& ub_k_ck = ub_k[ck]; in upper_bound_assign_if_exact()
7717 : ((j < row_size_k) ? ub_k[j] : ub_cj[ck]); in upper_bound_assign_if_exact()
7721 : ((ck < row_size_i) ? ub_i[ck] : ub_k[ci]); in upper_bound_assign_if_exact()
7907 row_reference ub_k = *(ub_m_begin + k); in integer_upper_bound_assign_if_exact() local
7908 const N& ub_k_ck = ub_k[ck]; in integer_upper_bound_assign_if_exact()
7915 : ((j < row_size_k) ? ub_k[j] : ub_cj[ck]); in integer_upper_bound_assign_if_exact()
7919 : ((ck < row_size_i) ? ub_i[ck] : ub_k[ci]); in integer_upper_bound_assign_if_exact()
H A DBD_Shape_templates.hh2431 const DB_Row<N>& ub_k = ub.dbm[k]; in BHZ09_upper_bound_assign_if_exact() local
2432 const N& ub_k_j = (k == j) ? temp_zero : ub_k[j]; in BHZ09_upper_bound_assign_if_exact()
H A Dppl.hh.dist78763 row_reference ub_k = *(ub_m_begin + k);
78764 const N& ub_k_ck = ub_k[ck];
78771 : ((j < row_size_k) ? ub_k[j] : ub_cj[ck]);
78775 : ((ck < row_size_i) ? ub_i[ck] : ub_k[ci]);
78961 row_reference ub_k = *(ub_m_begin + k);
78962 const N& ub_k_ck = ub_k[ck];
78969 : ((j < row_size_k) ? ub_k[j] : ub_cj[ck]);
78973 : ((ck < row_size_i) ? ub_i[ck] : ub_k[ci]);
82978 const DB_Row<N>& ub_k = ub.dbm[k];
82979 const N& ub_k_j = (k == j) ? temp_zero : ub_k[j];