mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
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Merge commit '60ad724c7a34fdd7a075e70da0e99a026d689bc2'
This commit is contained in:
commit
005f962eec
@ -1654,7 +1654,8 @@ Phreeqc::InternalCopy(const Phreeqc* pSrc)
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for (int i = 0; i < (int)pSrc->master_isotope.size(); i++)
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for (int i = 0; i < (int)pSrc->master_isotope.size(); i++)
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{
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{
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class master_isotope* master_isotope_ptr = master_isotope_store(pSrc->master_isotope[i]->name, FALSE);
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class master_isotope* master_isotope_ptr = master_isotope_store(pSrc->master_isotope[i]->name, FALSE);
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memcpy(master_isotope_ptr, pSrc->master_isotope[i], sizeof(class master_isotope));
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// memcpy(master_isotope_ptr, pSrc->master_isotope[i], sizeof(class master_isotope));
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*master_isotope_ptr = *pSrc->master_isotope[i];
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master_isotope_ptr->name = string_hsave(pSrc->master_isotope[i]->name);
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master_isotope_ptr->name = string_hsave(pSrc->master_isotope[i]->name);
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int n;
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int n;
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master_isotope_ptr->master = NULL;
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master_isotope_ptr->master = NULL;
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@ -753,7 +753,8 @@ run_as_cells(void)
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/*
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/*
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* save data for saving solutions
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* save data for saving solutions
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*/
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*/
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memcpy(&save_data, &save, sizeof(class save));
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// memcpy(&save_data, &save, sizeof(class save));
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save_data = save;
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/*
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/*
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*Copy everything to -2
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*Copy everything to -2
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*/
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*/
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@ -833,7 +834,8 @@ run_as_cells(void)
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/*
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/*
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* save end of reaction
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* save end of reaction
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*/
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*/
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memcpy(&save, &save_data, sizeof(class save));
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// memcpy(&save, &save_data, sizeof(class save));
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save = save_data;
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if (use.Get_kinetics_in() == TRUE)
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if (use.Get_kinetics_in() == TRUE)
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{
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{
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Utilities::Rxn_copy(Rxn_kinetics_map, -2, use.Get_n_kinetics_user());
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Utilities::Rxn_copy(Rxn_kinetics_map, -2, use.Get_n_kinetics_user());
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@ -517,8 +517,9 @@ calculate_isotope_moles(class element *elt_ptr,
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master_isotope_ptr = master_isotope_search("H");
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master_isotope_ptr = master_isotope_search("H");
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if ((master_isotope_ptr != NULL) && (master_isotope_ptr->elt == elt_ptr))
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if ((master_isotope_ptr != NULL) && (master_isotope_ptr->elt == elt_ptr))
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{
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{
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memcpy(&(list[count_isotopes]), master_isotope_ptr,
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// memcpy(&(list[count_isotopes]), master_isotope_ptr,
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sizeof(class master_isotope));
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// sizeof(class master_isotope));
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list[count_isotopes] = *master_isotope_ptr;
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list[count_isotopes].ratio = 1.0;
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list[count_isotopes].ratio = 1.0;
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if (list[count_isotopes].minor_isotope == FALSE)
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if (list[count_isotopes].minor_isotope == FALSE)
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{
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{
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@ -529,8 +530,9 @@ calculate_isotope_moles(class element *elt_ptr,
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master_isotope_ptr = master_isotope_search("O");
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master_isotope_ptr = master_isotope_search("O");
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if ((master_isotope_ptr != NULL) && (master_isotope_ptr->elt == elt_ptr))
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if ((master_isotope_ptr != NULL) && (master_isotope_ptr->elt == elt_ptr))
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{
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{
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memcpy(&(list[count_isotopes]), master_isotope_ptr,
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// memcpy(&(list[count_isotopes]), master_isotope_ptr,
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sizeof(class master_isotope));
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// sizeof(class master_isotope));
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list[count_isotopes] = *master_isotope_ptr;
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list[count_isotopes].ratio = 1.0;
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list[count_isotopes].ratio = 1.0;
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if (list[count_isotopes].minor_isotope == FALSE)
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if (list[count_isotopes].minor_isotope == FALSE)
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{
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{
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@ -548,8 +550,9 @@ calculate_isotope_moles(class element *elt_ptr,
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continue;
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continue;
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if (master_isotope_ptr->elt != elt_ptr)
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if (master_isotope_ptr->elt != elt_ptr)
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continue;
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continue;
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memcpy(&(list[count_isotopes]), master_isotope_ptr,
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// memcpy(&(list[count_isotopes]), master_isotope_ptr,
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sizeof(class master_isotope));
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// sizeof(class master_isotope));
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list[count_isotopes] = *master_isotope_ptr;
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if (list[count_isotopes].minor_isotope == FALSE)
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if (list[count_isotopes].minor_isotope == FALSE)
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{
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{
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total_is_major = list[count_isotopes].total_is_major;
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total_is_major = list[count_isotopes].total_is_major;
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@ -630,8 +633,9 @@ calculate_isotope_moles(class element *elt_ptr,
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{
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{
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if (list[i].name == master_isotope[j]->name)
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if (list[i].name == master_isotope[j]->name)
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{
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{
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memcpy(master_isotope[j], &(list[i]),
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// memcpy(master_isotope[j], &(list[i]),
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sizeof(class master_isotope));
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// sizeof(class master_isotope));
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*master_isotope[j] = list[i];
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}
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}
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}
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}
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}
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}
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@ -817,7 +817,8 @@ reactions(void)
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/*
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/*
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* save data for saving solutions
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* save data for saving solutions
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*/
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*/
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memcpy(&save_data, &save, sizeof(class save));
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// memcpy(&save_data, &save, sizeof(class save));
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save_data = save;
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/*
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/*
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*Copy everything to -2
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*Copy everything to -2
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*/
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*/
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@ -880,7 +881,8 @@ reactions(void)
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/*
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/*
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* save end of reaction
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* save end of reaction
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*/
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*/
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memcpy(&save, &save_data, sizeof(class save));
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// memcpy(&save, &save_data, sizeof(class save));
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save = save_data;
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if (use.Get_kinetics_in() == TRUE)
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if (use.Get_kinetics_in() == TRUE)
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{
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{
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Utilities::Rxn_copy(Rxn_kinetics_map, -2, use.Get_n_kinetics_user());
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Utilities::Rxn_copy(Rxn_kinetics_map, -2, use.Get_n_kinetics_user());
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@ -91,8 +91,13 @@ read_solution_spread(void)
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soln_defaults.iso.resize(count_iso_defaults);
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soln_defaults.iso.resize(count_iso_defaults);
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/* all iso[i].name is hsave'd, so no conflicts */
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/* all iso[i].name is hsave'd, so no conflicts */
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memcpy(&soln_defaults.iso[0], iso_defaults,
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// memcpy(&soln_defaults.iso[0], iso_defaults,
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soln_defaults.iso.size() * sizeof(class iso));
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// soln_defaults.iso.size() * sizeof(class iso));
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for (size_t i = 0; i < count_iso_defaults; ++i) {
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soln_defaults.iso[i].name = iso_defaults[i].name;
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soln_defaults.iso[i].value = iso_defaults[i].value;
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soln_defaults.iso[i].uncertainty = iso_defaults[i].uncertainty;
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}
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heading = NULL;
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heading = NULL;
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units = NULL;
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units = NULL;
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@ -2054,7 +2054,8 @@ fill_spec(int l_cell_no, int ref_cell)
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}
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}
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for (; i1 < i2; i1++) // i1 is loop variable
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for (; i1 < i2; i1++) // i1 is loop variable
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{
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{
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memmove(&sol_D[l_cell_no].spec[i1], &sol_D[ref_cell].spec[i1], sizeof(class spec));
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// memmove(&sol_D[l_cell_no].spec[i1], &sol_D[ref_cell].spec[i1], sizeof(class spec));
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sol_D[l_cell_no].spec[i1] = sol_D[ref_cell].spec[i1];
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sol_D[l_cell_no].spec[i1].c = 0.0;
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sol_D[l_cell_no].spec[i1].c = 0.0;
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sol_D[l_cell_no].spec[i1].a = 0.0;
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sol_D[l_cell_no].spec[i1].a = 0.0;
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sol_D[l_cell_no].spec[i1].lm = min_dif_LM;
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sol_D[l_cell_no].spec[i1].lm = min_dif_LM;
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@ -2130,7 +2131,8 @@ fill_spec(int l_cell_no, int ref_cell)
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for (; i2 > i3; i2--) // i2 is loop variable
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for (; i2 > i3; i2--) // i2 is loop variable
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sol_D[i1].spec[i2] = sol_D[i1].spec[i2 - 1];
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sol_D[i1].spec[i2] = sol_D[i1].spec[i2 - 1];
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memmove(&sol_D[i1].spec[i2], &sol_D[l_cell_no].spec[i2], sizeof(class spec));
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// memmove(&sol_D[i1].spec[i2], &sol_D[l_cell_no].spec[i2], sizeof(class spec));
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sol_D[i1].spec[i2] = sol_D[l_cell_no].spec[i2];
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sol_D[i1].spec[i2].a = 0.0;
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sol_D[i1].spec[i2].a = 0.0;
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sol_D[i1].spec[i2].lm = min_dif_LM;
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sol_D[i1].spec[i2].lm = min_dif_LM;
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sol_D[i1].spec[i2].lg = -0.04;
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sol_D[i1].spec[i2].lg = -0.04;
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@ -2157,7 +2159,8 @@ fill_spec(int l_cell_no, int ref_cell)
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}
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}
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for (i1 = count_spec; i1 < i3; i1++)
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for (i1 = count_spec; i1 < i3; i1++)
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{
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{
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memmove(&sol_D[l_cell_no].spec[i1], &sol_D[ref_cell].spec[i1], sizeof(class spec));
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// memmove(&sol_D[l_cell_no].spec[i1], &sol_D[ref_cell].spec[i1], sizeof(class spec));
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sol_D[l_cell_no].spec[i1] = sol_D[ref_cell].spec[i1];
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sol_D[l_cell_no].spec[i1].c = 0.0;
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sol_D[l_cell_no].spec[i1].c = 0.0;
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sol_D[l_cell_no].spec[i1].a = 0.0;
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sol_D[l_cell_no].spec[i1].a = 0.0;
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sol_D[l_cell_no].spec[i1].lm = min_dif_LM;
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sol_D[l_cell_no].spec[i1].lm = min_dif_LM;
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