/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | force_field_types.F | 66 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)
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H A D | force_fields_ext.F | 463 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")
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H A D | force_fields_input.F | 382 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)
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H A D | force_fields_all.F | 1182 ub_list(j)%ub_kind%k(1) = chm_info%ub_k(k) 1207 ub_list(j)%ub_kind%k(:) = inp_info%ub_k(:, k)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | force_field_types.F | 66 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)
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H A D | force_fields_ext.F | 463 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")
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H A D | force_fields_input.F | 382 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)
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H A D | force_fields_all.F | 1182 ub_list(j)%ub_kind%k(1) = chm_info%ub_k(k) 1207 ub_list(j)%ub_kind%k(:) = inp_info%ub_k(:, k)
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/dports/devel/ppl/ppl-1.2/src/ |
H A D | Octagonal_Shape_templates.hh | 7709 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()
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H A D | BD_Shape_templates.hh | 2431 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()
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H A D | ppl.hh.dist | 78763 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];
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