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https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 16:44:49 +01:00
Fixing Linux compiler warnings, checking in new regression test files.
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@ -3590,7 +3590,8 @@ CVsldet(CVodeMem cv_mem)
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realtype smink, smaxk, sumrat, sumrsq, vmin, vmax, drrmax, adrr;
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realtype /*small_cvode,*/ tem, sqmax, saqk, qp, s, sqmaxk, saqj, sqmin;
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realtype rsa, rsb, rsc, rsd, rse, rd1a, rd1b, rd1c, rd1d;
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realtype rd2a, rd2b, rd2c, rd3a, rd3b, cest1, corr1;
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//realtype rd2a, rd2b, rd2c, rd3a, rd3b, cest1, corr1;
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realtype rd2a, rd2b, rd2c, rd3a, cest1, corr1;
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realtype ratp, ratm, qfac1, qfac2, bb, rrb;
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/* The following are cutoffs and tolerances used by this routine */
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@ -3854,7 +3855,7 @@ CVsldet(CVodeMem cv_mem)
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rd2b = rd1b - rd1c;
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rd2c = rd1c - rd1d;
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rd3a = rd2a - rd2b;
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rd3b = rd2b - rd2c;
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//rd3b = rd2b - rd2c;
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/* rd3b = rd3b; */
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if (ABS(rd1b) < TINY * smax[k])
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19
model.cpp
19
model.cpp
@ -687,7 +687,8 @@ gammas(LDBLE mu)
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*/
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if (calculating_deriv)
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continue;
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LDBLE coef, z;
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{
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LDBLE coef = 0, z = 0;
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for (j = 1; s_x[i]->rxn_x->token[j].s != NULL; j++)
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{
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if (s_x[i]->rxn_x->token[j].s->type == EX)
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@ -759,7 +760,7 @@ gammas(LDBLE mu)
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}
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else
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{
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/*
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/*
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* Master species is a dummy variable with meaningless activity and mass
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*/
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if (s_x[i]->primary != NULL)
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@ -778,7 +779,7 @@ gammas(LDBLE mu)
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}
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if (s_x[i]->a_f && s_x[i]->primary == NULL && s_x[i]->moles)
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gammas_a_f(i); // appt
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}
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break;
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case 5: /* Always 1.0 */
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s_x[i]->lg = 0.0;
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@ -879,7 +880,8 @@ int Phreeqc::gammas_a_f(int i1)
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/* ------------------------------------------------------------------------------- */
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{
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int i, j;
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LDBLE d2, d3, coef = 0, sum = 0;
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//LDBLE d2, d3, coef = 0, sum = 0;
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LDBLE d2, d3, sum = 0;
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char name[MAX_LENGTH];
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//struct master *m_ptr;
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@ -2219,7 +2221,7 @@ mb_ss(void)
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{
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cxxSS *ss_ptr = ss_ptrs[i];
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total_moles = 0;
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bool ss_in = true;
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//bool ss_in = true;
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for (size_t j = 0; j < ss_ptr->Get_ss_comps().size(); j++)
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{
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int l;
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@ -3020,7 +3022,8 @@ ss_binary(cxxSS *ss_ptr)
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/* ---------------------------------------------------------------------- */
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{
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LDBLE nb, nc, n_tot, xb, xc, dnb, dnc, l_a0, l_a1;
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LDBLE xb2, xb3, xb4, xc2, xc3;
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//LDBLE xb2, xb3, xb4, xc2, xc3;
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LDBLE xb2, xb3, xc2;
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LDBLE xb1, xc1;
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/*
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* component 0 is major component
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@ -3107,10 +3110,10 @@ ss_binary(cxxSS *ss_ptr)
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comp1_ptr->Get_log10_lambda();
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xc2 = xc * xc;
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xc3 = xc2 * xc;
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//xc3 = xc2 * xc;
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xb2 = xb * xb;
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xb3 = xb2 * xb;
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xb4 = xb3 * xb;
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//xb4 = xb3 * xb;
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/* xb4 = xb4; */
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/* xc3 = xc3; */
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@ -2025,7 +2025,7 @@ fill_spec(int l_cell_no, int ref_cell)
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malloc_error();
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sol_D[l_cell_no].spec_size = i3 + count_spec + 1 + size_xt;
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}
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for (i1; i1 < i2; i1++)
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for (; i1 < i2; i1++) // i1 is loop variable
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{
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memmove(&sol_D[l_cell_no].spec[i1], &sol_D[ref_cell].spec[i1], sizeof(struct spec));
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sol_D[l_cell_no].spec[i1].c = 0.0;
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@ -2098,7 +2098,7 @@ fill_spec(int l_cell_no, int ref_cell)
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sol_D[i1].spec_size = i2 + size_xt;
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}
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i2--;
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for (i2; i2 > i3; i2--)
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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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memmove(&sol_D[i1].spec[i2], &sol_D[l_cell_no].spec[i2], sizeof(struct spec));
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@ -2189,9 +2189,9 @@ diffuse_implicit(LDBLE DDt, int stagnant)
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int i, icell, cp, comp;
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// ifirst = (bcon_first == 2 ? 1 : 0); ilast = (bcon_last == 2 ? count_cells - 1 : count_cells);
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int ifirst, ilast;
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int i_1, i0, i1, i2;
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int i_1, i0, i1, i2 = 0;
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double mfr, mfr1, max_b = 0, b, grad, dVc, j_0e, min_dif_M = pow(10, min_dif_LM);
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LDBLE dum1, dum2, dum_stag, min_mol;
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LDBLE dum1, dum2, dum_stag = 0.0, min_mol;
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LDBLE dum = 0;
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cxxSurfaceCharge * charge_ptr = NULL;
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@ -2789,10 +2789,15 @@ diffuse_implicit(LDBLE DDt, int stagnant)
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for (i = ifirst + 1; i < ilast; i++)
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{
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dVc = current_cells[i].R * (current_x - current_cells[i].dif);
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if ((dV_dcell && dVc * j_0e > 0 ||
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(dV_dcell > 0 && (cell_data[i].potV + dVc) > (cell_data[count_cells + 1].potV)) ||
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(dV_dcell < 0 && (cell_data[i].potV + dVc) < (cell_data[count_cells + 1].potV))))
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//if (((dV_dcell && (dVc * j_0e > 0)) ||
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// (dV_dcell > 0 && (cell_data[i].potV + dVc) > (cell_data[count_cells + 1].potV)) ||
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// (dV_dcell < 0 && (cell_data[i].potV + dVc) < (cell_data[count_cells + 1].potV))))
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if ((dV_dcell && (dVc * j_0e > 0)) ||
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((dV_dcell > 0) && ((cell_data[i].potV + dVc) > cell_data[count_cells + 1].potV)) ||
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((dV_dcell < 0) && ((cell_data[i].potV + dVc) < cell_data[count_cells + 1].potV)))
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{
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dVc = (cell_data[count_cells + 1].potV - cell_data[i].potV) / (count_cells + 1 - i);
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}
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cell_data[i + 1].potV = cell_data[i].potV + dVc;
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}
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if (!dV_dcell || fix_current)
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