diff --git a/Cantera/src/base/PrintCtrl.cpp b/Cantera/src/base/PrintCtrl.cpp index 07bf1aac3..1fae24b4c 100644 --- a/Cantera/src/base/PrintCtrl.cpp +++ b/Cantera/src/base/PrintCtrl.cpp @@ -147,8 +147,6 @@ namespace Cantera { if (Ndec < -301 || Ndec > 301) { return d; } - double sgn = 1.0; - if (d < 0.0) sgn = -1.0; double dfabs = fabs(d); double pdec = pow(10.0, (double) Ndec); if (dfabs < pdec) { diff --git a/Cantera/src/base/config.h.in b/Cantera/src/base/config.h.in index 83413447d..248f8ec2d 100644 --- a/Cantera/src/base/config.h.in +++ b/Cantera/src/base/config.h.in @@ -23,6 +23,12 @@ // This just compiles in the code. %(DEBUG_MODE)s +#ifdef DEBUG_MODE +#define DEBUG_MODE_ENABLED 1 +#else +#define DEBUG_MODE_ENABLED 0 +#endif + //------------------------ Fortran settings -------------------// // define types doublereal, integer, and ftnlen to match the diff --git a/Cantera/src/base/ctml.cpp b/Cantera/src/base/ctml.cpp index a49c08d86..9a3c5411d 100644 --- a/Cantera/src/base/ctml.cpp +++ b/Cantera/src/base/ctml.cpp @@ -482,7 +482,7 @@ namespace ctml { std::vector f; node.getChildren("integer",f); int n = static_cast(f.size()); - integer x, x0, x1; + integer x; std::string typ, title, vmin, vmax; for (int i = 0; i < n; i++) { const XML_Node& fi = *(f[i]); @@ -491,9 +491,7 @@ namespace ctml { vmin = fi["min"]; vmax = fi["max"]; if (vmin != "") - x0 = atoi(vmin.c_str()); if (fi["max"] != "") - x1 = atoi(vmax.c_str()); v[title] = x; } } diff --git a/Cantera/src/converters/NASA9Parser.cpp b/Cantera/src/converters/NASA9Parser.cpp index 0395bfbdb..c1363005b 100644 --- a/Cantera/src/converters/NASA9Parser.cpp +++ b/Cantera/src/converters/NASA9Parser.cpp @@ -192,8 +192,6 @@ namespace ckr { string s; vector toks; string defaultDate=""; - size_t nreg = 2; - int nsp = static_cast(names.size()); // Comment string diff --git a/Cantera/src/converters/ck2ct.cpp b/Cantera/src/converters/ck2ct.cpp index 104bb585e..e8b1d9012 100644 --- a/Cantera/src/converters/ck2ct.cpp +++ b/Cantera/src/converters/ck2ct.cpp @@ -256,7 +256,6 @@ namespace pip { int nel = static_cast(sp.elements.size()); int m, num; string nm, str=""; - doublereal charge = 0.0; for (m = 0; m < nel; m++) { /* * Copy the element name into the string, nm. Lower case the @@ -276,10 +275,6 @@ namespace pip { */ str += " "+nm+":"+int2str(num)+" "; - /* if the species contains the special element E (electron), - * then set the charge. - */ - if (nm == "E") charge = -sp.elements[m].number; } fprintf(f," atoms = \"%s\",\n", str.c_str()); diff --git a/Cantera/src/equil/ChemEquil.cpp b/Cantera/src/equil/ChemEquil.cpp index 82724d484..fbd9b4ff8 100755 --- a/Cantera/src/equil/ChemEquil.cpp +++ b/Cantera/src/equil/ChemEquil.cpp @@ -1494,13 +1494,11 @@ namespace Cantera { } } } -#ifdef DEBUG_MODE - if (ChemEquil_print_lvl > 0) { + if (DEBUG_MODE_ENABLED && ChemEquil_print_lvl > 0) { if (!normalStep) { - writelogf(" NOTE: iter(%d) Doing an abnormal step due to row %d\n", iter, iM); + writelogf(" NOTE: iter(%d) Doing an abnormal step due to row %d\n", iter, iM); } } -#endif if (!normalStep) { beta = 1.0; resid[m_mm] = 0.0; @@ -1798,21 +1796,19 @@ namespace Cantera { } } -#ifdef DEBUG_MODE - if (ChemEquil_print_lvl > 0 && modifiedMatrix) { + if (DEBUG_MODE_ENABLED && ChemEquil_print_lvl > 0 && modifiedMatrix) { writelog("Row Summed, MODIFIED Matrix:\n"); for (m = 0; m <= m_mm; m++) { writelog(" ["); for (n = 0; n <= m_mm; n++) { - writelogf(" %10.5g", a1(m,n)); + writelogf(" %10.5g", a1(m,n)); } writelogf("] = %10.5g\n", resid[m]); } } -#endif try { - int info = solve(a1, DATA_PTR(resid)); + solve(a1, DATA_PTR(resid)); } catch (CanteraError) { addLogEntry("estimateEP_Brinkley:Jacobian is singular."); diff --git a/Cantera/src/equil/MultiPhase.cpp b/Cantera/src/equil/MultiPhase.cpp index b11e2cca5..8edba916c 100644 --- a/Cantera/src/equil/MultiPhase.cpp +++ b/Cantera/src/equil/MultiPhase.cpp @@ -531,13 +531,11 @@ namespace Cantera { doublereal MultiPhase::equilibrate(int XY, doublereal err, int maxsteps, int maxiter, int loglevel) { - doublereal error; bool strt = false; doublereal dt; doublereal h0; int n; - bool start; - doublereal ferr, hnow, herr = 1.0; + doublereal hnow, herr = 1.0; doublereal snow, serr = 1.0, s0; doublereal Tlow = -1.0, Thigh = -1.0; doublereal Hlow = Undef, Hhigh = Undef, tnew; @@ -558,7 +556,7 @@ namespace Cantera { // create an equilibrium manager e = new MultiPhaseEquil(this); try { - error = e->equilibrate(XY, err, maxsteps, loglevel); + e->equilibrate(XY, err, maxsteps, loglevel); } catch (CanteraError &err) { if (loglevel > 0) @@ -593,7 +591,7 @@ namespace Cantera { beginLogGroup("iteration "+int2str(n)); try { - error = e->equilibrate(TP, err, maxsteps, loglevel); + e->equilibrate(TP, err, maxsteps, loglevel); hnow = enthalpy(); // the equilibrium enthalpy monotonically increases with T; // if the current value is below the target, the we know the @@ -685,7 +683,6 @@ namespace Cantera { } else if (XY == SP) { s0 = entropy(); - start = true; Tlow = 1.0; // m_Tmin; // lower bound on T Thigh = 1.0e6; // m_Tmax; // upper bound on T if (loglevel > 0) { @@ -697,14 +694,11 @@ namespace Cantera { for (n = 0; n < maxiter; n++) { if (e) delete e; e = new MultiPhaseEquil(this, strt); - ferr = 0.1; - if (fabs(dt) < 1.0) ferr = err; - //start = false; if (loglevel > 0) beginLogGroup("iteration "+int2str(n)); try { - error = e->equilibrate(TP, err, maxsteps, loglevel); + e->equilibrate(TP, err, maxsteps, loglevel); snow = entropy(); if (snow < s0) { if (m_temp > Tlow) Tlow = m_temp; @@ -776,14 +770,14 @@ namespace Cantera { doublereal dVdP; int n; bool start = true; - doublereal error, vnow, pnow, verr; + doublereal vnow, pnow, verr; for (n = 0; n < maxiter; n++) { pnow = pressure(); MultiPhaseEquil e(this, start); start = false; beginLogGroup("iteration "+int2str(n)); - error = e.equilibrate(TP, err, maxsteps, loglevel); + e.equilibrate(TP, err, maxsteps, loglevel); vnow = volume(); verr = fabs((v0 - vnow)/v0); addLogEntry("P",fp2str(pressure())); diff --git a/Cantera/src/equil/MultiPhaseEquil.cpp b/Cantera/src/equil/MultiPhaseEquil.cpp index 3c5a83339..6c6f5775d 100644 --- a/Cantera/src/equil/MultiPhaseEquil.cpp +++ b/Cantera/src/equil/MultiPhaseEquil.cpp @@ -839,13 +839,11 @@ namespace Cantera { } doublereal MultiPhaseEquil::error() { - index_t j, ik, k; doublereal err, maxerr = 0.0; // examine every reaction - for (j = 0; j < m_nsp - m_nel; j++) { - ik = j + m_nel; - k = m_order[ik]; + for (size_t j = 0; j < m_nsp - m_nel; j++) { + size_t ik = j + m_nel; // don't require formation reactions for solution species // present in trace amounts to be equilibrated diff --git a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp index 92bf7b917..1377a3054 100644 --- a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp +++ b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp @@ -926,7 +926,6 @@ namespace VCSnonideal { Cantera::ThermoPhase *tPhase = 0; - int iSurPhase = -1; bool gasPhase; int printLvl = vprob->m_printLvl; @@ -939,7 +938,6 @@ namespace VCSnonideal { /* * Get the thermophase object - assume volume phase */ - iSurPhase = -1; tPhase = &(mphase->phase(iphase)); size_t nelem = tPhase->nElements(); diff --git a/Cantera/src/equil/vcs_inest.cpp b/Cantera/src/equil/vcs_inest.cpp index 821e466de..f389cb49f 100644 --- a/Cantera/src/equil/vcs_inest.cpp +++ b/Cantera/src/equil/vcs_inest.cpp @@ -44,7 +44,6 @@ namespace VCSnonideal { int finished; size_t nspecies = m_numSpeciesTot; size_t nrxn = m_numRxnTot; - vcs_VolPhase *Vphase = 0; // double *molNum = VCS_DATA_PTR(m_molNumSpecies_old); double TMolesMultiphase; @@ -130,7 +129,6 @@ namespace VCSnonideal { vcs_dzero(VCS_DATA_PTR(m_deltaMolNumSpecies), nspecies); for (kspec = 0; kspec < nspecies; ++kspec) { iph = m_phaseID[kspec]; - Vphase = m_VolPhaseList[iph]; if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { if (m_molNumSpecies_old[kspec] <= 0.0) { /* @@ -458,13 +456,11 @@ namespace VCSnonideal { */ int rangeCheck = vcs_elabcheck(1); if (!vcs_elabcheck(0)) { -#ifdef DEBUG_MODE - if (m_debug_print_lvl >= 2) { + if (DEBUG_MODE_ENABLED && m_debug_print_lvl >= 2) { plogf("%sInitial guess failed element abundances\n", pprefix); plogf("%sCall vcs_elcorr to attempt fix", pprefix); plogendl(); } -#endif vcs_elcorr(VCS_DATA_PTR(sm), VCS_DATA_PTR(aw)); rangeCheck = vcs_elabcheck(1); if (!vcs_elabcheck(0)) { @@ -475,8 +471,7 @@ namespace VCSnonideal { plogendl(); retn = -1; } else { -#ifdef DEBUG_MODE - if (m_debug_print_lvl >= 2) { + if (DEBUG_MODE_ENABLED && m_debug_print_lvl >= 2) { if (rangeCheck) { plogf("%sInitial guess now satisfies element abundances", pprefix); plogendl(); @@ -488,12 +483,10 @@ namespace VCSnonideal { plogendl(); } } -#endif } } else { -#ifdef DEBUG_MODE - if (m_debug_print_lvl >= 2) { + if (DEBUG_MODE_ENABLED && m_debug_print_lvl >= 2) { if (rangeCheck) { plogf("%sInitial guess satisfies element abundances", pprefix); plogendl(); @@ -505,7 +498,6 @@ namespace VCSnonideal { plogendl(); } } -#endif } #ifdef DEBUG_MODE diff --git a/Cantera/src/equil/vcs_phaseStability.cpp b/Cantera/src/equil/vcs_phaseStability.cpp index ca7b0fda7..6e6f0d532 100644 --- a/Cantera/src/equil/vcs_phaseStability.cpp +++ b/Cantera/src/equil/vcs_phaseStability.cpp @@ -441,15 +441,12 @@ namespace VCSnonideal { // Get the storred estimate for the composition of the phase if // it gets created fracDelta_new = Vphase->fractionCreationDeltas(); - - bool oneIsComponent = false; std::vector componentList; for (k = 0; k < Vphase->nSpecies(); k++) { kspec = Vphase->spGlobalIndexVCS(k); if (kspec < m_numComponents) { - oneIsComponent = true; componentList.push_back(k); } } diff --git a/Cantera/src/equil/vcs_solve_TP.cpp b/Cantera/src/equil/vcs_solve_TP.cpp index 5b9f8c6a6..09bb1ef28 100644 --- a/Cantera/src/equil/vcs_solve_TP.cpp +++ b/Cantera/src/equil/vcs_solve_TP.cpp @@ -98,12 +98,11 @@ namespace VCSnonideal { bool allMinorZeroedSpecies = false, forced; size_t iph; double dx, xx, par; - size_t dofast, ll = 0, it1 = 0; + size_t dofast, it1 = 0; size_t lec, npb, iti, lnospec; int rangeErrorFound = 0; bool giveUpOnElemAbund = false; int finalElemAbundAttempts = 0; - bool MajorSpeciesHaveConverged = false; bool uptodate_minors = true; bool justDeletedMultiPhase = false; size_t usedZeroedSpecies; /* return flag from basopt indicating that @@ -282,7 +281,6 @@ namespace VCSnonideal { goto L_RETURN_BLOCK; } it1 = 1; - MajorSpeciesHaveConverged = false; /*************************************************************************/ /************** EVALUATE INITIAL SPECIES STATUS VECTOR *******************/ @@ -583,7 +581,6 @@ namespace VCSnonideal { } #endif m_speciesStatus[kspec] = VCS_SPECIES_MAJOR; - MajorSpeciesHaveConverged = false; allMinorZeroedSpecies = false; } else { #ifdef DEBUG_MODE @@ -939,14 +936,12 @@ namespace VCSnonideal { L_MAIN_LOOP_END_NO_PRINT: ; #endif if (doPhaseDeleteIph != -1) { -#ifdef DEBUG_MODE - if (m_debug_print_lvl >= 2) { + if (DEBUG_MODE_ENABLED && m_debug_print_lvl >= 2) { plogf(" --- "); plogf("%-12.12s Main Loop Special Case deleting phase with species: ", m_speciesName[doPhaseDeleteKspec].c_str()); plogendl(); } -#endif break; } } /**************** END OF MAIN LOOP OVER FORMATION REACTIONS ************/ @@ -1578,12 +1573,6 @@ namespace VCSnonideal { plogf("%s failed\n", m_speciesName[m_indexRxnToSpecies[irxn]].c_str()); } #endif - /* - * Set MajorSpeciesHaveConverged to false to indicate that - * convergence amongst - * major species has not been achieved - */ - MajorSpeciesHaveConverged = false; /* * Go back and do another iteration with variable ITI */ @@ -1607,11 +1596,6 @@ namespace VCSnonideal { } } #endif - /* - * Set MajorSpeciesHaveConverged to true to indicate - * that convergence amongst major species has been achieved - */ - MajorSpeciesHaveConverged = true; /*************************************************************************/ /*************** EQUILIBRIUM CHECK FOR MINOR SPECIES *********************/ /*************************************************************************/ @@ -1823,7 +1807,6 @@ namespace VCSnonideal { * If we have found something to add, recalculate everything * for minor species and go back to do a full iteration */ - MajorSpeciesHaveConverged = true; vcs_setFlagsVolPhases(false, VCS_STATECALC_OLD); vcs_dfe(VCS_STATECALC_OLD, 1, 0, m_numSpeciesRdc); vcs_deltag(0, false, VCS_STATECALC_OLD); @@ -1843,7 +1826,6 @@ namespace VCSnonideal { * If we have found something to add, recalculate everything * for minor species and go back to do a full iteration */ - MajorSpeciesHaveConverged = true; vcs_setFlagsVolPhases(false, VCS_STATECALC_OLD); vcs_dfe(VCS_STATECALC_OLD, 1, 0, m_numSpeciesRdc); vcs_deltag(0, false, VCS_STATECALC_OLD); @@ -1859,7 +1841,6 @@ namespace VCSnonideal { */ npb = vcs_add_all_deleted(); if (npb > 0) { - MajorSpeciesHaveConverged = true; iti = 0; #ifdef DEBUG_MODE if (m_debug_print_lvl >= 1) { @@ -2207,13 +2188,11 @@ namespace VCSnonideal { * -> This zeroes w[kspec] and modifies m_tPhaseMoles_old[] */ const int retn = vcs_zero_species(kspec); -#ifdef DEBUG_MODE - if (! retn) { + if (DEBUG_MODE_ENABLED && !retn) { plogf("Failed to delete a species!"); plogendl(); exit(EXIT_FAILURE); } -#endif /* * Decrement the minor species counter if the current species is * a minor species @@ -2293,7 +2272,7 @@ namespace VCSnonideal { * This routine is responsible for the global data manipulation only. */ void VCS_SOLVE::vcs_reinsert_deleted(size_t kspec) { - size_t i, k; + size_t k; // int irxn = kspec - m_numComponents; size_t iph = m_phaseID[kspec]; double dx; @@ -2334,7 +2313,6 @@ namespace VCSnonideal { Vphase->setExistence(VCS_PHASE_EXIST_YES); for (k = 0; k < m_numSpeciesTot; k++) { if (m_phaseID[k] == iph) { - i = k - m_numComponents; if (m_speciesStatus[k] != VCS_SPECIES_DELETED) { m_speciesStatus[k] = VCS_SPECIES_MINOR; } @@ -2432,7 +2410,7 @@ namespace VCSnonideal { } } - double deltaLarge, dj, dxWant, dxPerm = 0.0, dxPerm2 = 0.0; + double dj, dxWant, dxPerm = 0.0, dxPerm2 = 0.0; for (size_t kcomp = 0; kcomp < m_numComponents; ++kcomp) { if (m_phaseID[kcomp] == iph) { #ifdef DEBUG_MODE @@ -2442,7 +2420,6 @@ namespace VCSnonideal { } #endif if (m_molNumSpecies_old[kcomp] != 0.0) { - deltaLarge = 0.0; for (kspec = m_numComponents; kspec < m_numSpeciesRdc; ++kspec) { irxn = kspec - m_numComponents; if (m_phaseID[kspec] != iph) { diff --git a/Cantera/src/kinetics/solveSP.cpp b/Cantera/src/kinetics/solveSP.cpp index af89abbdc..8f72719b7 100644 --- a/Cantera/src/kinetics/solveSP.cpp +++ b/Cantera/src/kinetics/solveSP.cpp @@ -945,8 +945,6 @@ namespace Cantera { doublereal sden, tmp; size_t kindexSP = 0; *label = 0; - size_t ispSpecial = 0; - size_t kspSpecial = 0; updateMFSolnSP(XMolSolnSP); for (isp = 0; isp < m_numSurfPhases; isp++) { nsp = m_nSpeciesSurfPhase[isp]; @@ -977,8 +975,6 @@ namespace Cantera { if (tmp > inv_timeScale) { inv_timeScale = tmp; *label = int(kindexSP); - ispSpecial = isp; - kspSpecial = k; } } } diff --git a/Cantera/src/numerics/NonlinearSolver.cpp b/Cantera/src/numerics/NonlinearSolver.cpp index 54e699424..c75ffbe3c 100644 --- a/Cantera/src/numerics/NonlinearSolver.cpp +++ b/Cantera/src/numerics/NonlinearSolver.cpp @@ -498,7 +498,7 @@ namespace Cantera { */ double NonlinearSolver::boundStep(const double* const y, const double* const step0, const int loglevel) { - int i, i_lower = -1, i_fbounds, ifbd = 0, i_fbd = 0; + int i, i_lower = -1, ifbd = 0, i_fbd = 0; double fbound = 1.0, f_bounds = 1.0, f_delta_bounds = 1.0; double ff, y_new, ff_alt; @@ -552,7 +552,6 @@ namespace Cantera { } if (ff < f_delta_bounds) { f_delta_bounds = ff; - i_fbounds = i; i_fbd = ifbd; } f_delta_bounds = MIN(f_delta_bounds, ff); @@ -741,7 +740,6 @@ namespace Cantera { { clockWC wc; - bool m_residCurrent = false; int m = 0; bool forceNewJac = false; double s1=1.e30; @@ -791,12 +789,10 @@ namespace Cantera { } beuler_jac(jac, DATA_PTR(m_resid), time_curr, CJ, DATA_PTR(y_curr), DATA_PTR(ydot_curr), num_newt_its); - m_residCurrent = true; } else { if (loglevel > 1) { printf("\t\t\tSolving system with old jacobian\n"); } - m_residCurrent = false; } /* * Go get new scales diff --git a/Cantera/src/oneD/Sim1D.cpp b/Cantera/src/oneD/Sim1D.cpp index 3042d74e3..89aa3eb8f 100644 --- a/Cantera/src/oneD/Sim1D.cpp +++ b/Cantera/src/oneD/Sim1D.cpp @@ -155,7 +155,7 @@ namespace Cantera { } vector xd; - size_t sz = 0, np, nv, m; + size_t sz = 0, np, m; for (m = 0; m < m_nd; m++) { XML_Node* d = f->findID(domain(m).id()); if (!d) { @@ -167,7 +167,6 @@ namespace Cantera { const XML_Node& node = *d; xd.push_back(d); np = intValue(node["points"]); - nv = intValue(node["components"]); sz += np*domain(m).nComponents(); } } @@ -429,14 +428,13 @@ namespace Cantera { doublereal xmid; doublereal zfixed,interp_factor; doublereal z1 = 0.0, z2 = 0.0, t1,t2; - size_t strt, n, m, i; + size_t n, m, i; size_t m1 = 0; std::vector dsize; for (n = 0; n < m_nd; n++) { bool addnewpt=false; - strt = znew.size(); Domain1D& d = domain(n); size_t comp = d.nComponents(); diff --git a/Cantera/src/oneD/boundaries1D.cpp b/Cantera/src/oneD/boundaries1D.cpp index 4a9a0d50d..3651eed44 100644 --- a/Cantera/src/oneD/boundaries1D.cpp +++ b/Cantera/src/oneD/boundaries1D.cpp @@ -814,14 +814,12 @@ namespace Cantera { if (m_enabled) { doublereal maxx = -1.0; - size_t imx = -1; for (size_t k = 0; k < m_nsp; k++) { r[k+1] = m_work[k + ioffset] * m_sphase->size(k) * rs0; r[k+1] -= rdt*(x[k+1] - prevSoln(k+1,0)); diag[k+1] = 1; if (x[k+1] > maxx) { maxx = x[k+1]; - imx = k+1; } } r[1] = 1.0 - sum; diff --git a/Cantera/src/thermo/HMWSoln.cpp b/Cantera/src/thermo/HMWSoln.cpp index 7f1643701..d10461a17 100644 --- a/Cantera/src/thermo/HMWSoln.cpp +++ b/Cantera/src/thermo/HMWSoln.cpp @@ -674,11 +674,9 @@ namespace Cantera { return L; } double xuse = xcation; - int kuse = kcation; double factor = 1; if (xanion < xcation) { xuse = xanion; - kuse = kanion; if (charge[kcation] != 1.0) { factor = charge[kcation]; } @@ -2377,7 +2375,6 @@ namespace Cantera { printE = 0; } #endif - double wateract; std::string sni, snj, snk; /* @@ -3376,7 +3373,6 @@ namespace Cantera { } #endif lnwateract = -(m_weightSolvent/1000.0) * molalitysumUncropped * osmotic_coef; - wateract = exp(lnwateract); /* * In Cantera, we define the activity coefficient of the solvent as @@ -3391,6 +3387,7 @@ namespace Cantera { m_lnActCoeffMolal_Unscaled[0] = lnwateract - log(xx); #ifdef DEBUG_MODE if (m_debugCalc) { + double wateract = exp(lnwateract); printf(" Weight of Solvent = %16.7g\n", m_weightSolvent); printf(" molalitySumUncropped = %16.7g\n", molalitysumUncropped); printf(" ln_a_water=%10.6f a_water=%10.6f\n\n", @@ -3470,7 +3467,6 @@ namespace Cantera { exit(EXIT_FAILURE); } - double d_wateract_dT; std::string sni, snj, snk; const double *molality = DATA_PTR(m_molalitiesCropped); @@ -3516,7 +3512,7 @@ namespace Cantera { double *CMX_L = DATA_PTR(m_CMX_IJ_L); double x1, x2; - double Aphi, dFdT, zsqdFdT; + double dFdT, zsqdFdT; double sum1, sum2, sum3, sum4, sum5, term1; double sum_m_phi_minus_1, d_osmotic_coef_dT, d_lnwateract_dT; @@ -3813,7 +3809,6 @@ namespace Cantera { // A_Debye_Huckel = 0.5107; <- This value is used to match GWB data // ( A * ln(10) = 1.17593) // Aphi = A_Debye_Huckel * 2.30258509 / 3.0; - Aphi = m_A_Debye / 3.0; double dA_DebyedT = dA_DebyedT_TP(); double dAphidT = dA_DebyedT /3.0; @@ -4253,7 +4248,6 @@ namespace Cantera { } #endif d_lnwateract_dT = -(m_weightSolvent/1000.0) * molalitysum * d_osmotic_coef_dT; - d_wateract_dT = exp(d_lnwateract_dT); /* * In Cantera, we define the activity coefficient of the solvent as @@ -4267,6 +4261,7 @@ namespace Cantera { m_dlnActCoeffMolaldT_Unscaled[0] = d_lnwateract_dT; #ifdef DEBUG_MODE if (m_debugCalc) { + double d_wateract_dT = exp(d_lnwateract_dT); printf(" d_ln_a_water_dT = %10.6f d_a_water_dT=%10.6f\n\n", d_lnwateract_dT, d_wateract_dT); } @@ -5224,7 +5219,6 @@ namespace Cantera { exit(EXIT_FAILURE); } - double d_wateract_dP; std::string sni, snj, snk; const double *molality = DATA_PTR(m_molalitiesCropped); @@ -5270,7 +5264,7 @@ namespace Cantera { double *CMX_P = DATA_PTR(m_CMX_IJ_P); double x1, x2; - double Aphi, dFdP, zsqdFdP; + double dFdP, zsqdFdP; double sum1, sum2, sum3, sum4, sum5, term1; double sum_m_phi_minus_1, d_osmotic_coef_dP, d_lnwateract_dP; @@ -5571,7 +5565,6 @@ namespace Cantera { // A_Debye_Huckel = 0.5107; <- This value is used to match GWB data // ( A * ln(10) = 1.17593) // Aphi = A_Debye_Huckel * 2.30258509 / 3.0; - Aphi = m_A_Debye / 3.0; double dA_DebyedP = dA_DebyedP_TP(currTemp, currPres); double dAphidP = dA_DebyedP /3.0; @@ -6018,7 +6011,7 @@ namespace Cantera { } #endif d_lnwateract_dP = -(m_weightSolvent/1000.0) * molalitysum * d_osmotic_coef_dP; - d_wateract_dP = exp(d_lnwateract_dP); + /* * In Cantera, we define the activity coefficient of the solvent as @@ -6032,6 +6025,7 @@ namespace Cantera { m_dlnActCoeffMolaldP_Unscaled[0] = d_lnwateract_dP; #ifdef DEBUG_MODE if (m_debugCalc) { + double d_wateract_dP = exp(d_lnwateract_dP); printf(" d_ln_a_water_dP = %10.6f d_a_water_dP=%10.6f\n\n", d_lnwateract_dP, d_wateract_dP); } diff --git a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp index e86a5c3ce..b9dffbd4a 100644 --- a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp +++ b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp @@ -735,8 +735,6 @@ namespace Cantera { */ void IonsFromNeutralVPSSTP::calcNeutralMoleculeMoleFractions() const { size_t icat, jNeut; - doublereal sumCat; - doublereal sumAnion; doublereal fmij; doublereal sum = 0.0; @@ -760,16 +758,12 @@ namespace Cantera { switch (ionSolnType_) { case cIonSolnType_PASSTHROUGH: - for (size_t k = 0; k < m_kk; k++) { NeutralMolecMoleFractions_[k] = moleFractions_[k]; } break; case cIonSolnType_SINGLEANION: - - sumCat = 0.0; - sumAnion = 0.0; for (size_t k = 0; k < numNeutralMoleculeSpecies_; k++) { NeutralMolecMoleFractions_[k] = 0.0; } @@ -863,8 +857,6 @@ namespace Cantera { */ void IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(const doublereal * const dx, doublereal *dy) const { size_t icat, jNeut; - doublereal sumCat; - doublereal sumAnion; doublereal fmij; vector_fp y; y.resize(numNeutralMoleculeSpecies_,0.0); @@ -883,17 +875,12 @@ namespace Cantera { switch (ionSolnType_) { case cIonSolnType_PASSTHROUGH: - for (size_t k = 0; k < m_kk; k++) { dy[k] = dx[k]; } break; case cIonSolnType_SINGLEANION: - - sumCat = 0.0; - sumAnion = 0.0; - for (size_t k = 0; k < (int) cationList_.size(); k++) { //! Get the id for the next cation icat = cationList_[k]; diff --git a/Cantera/src/thermo/MargulesVPSSTP.cpp b/Cantera/src/thermo/MargulesVPSSTP.cpp index 5c120bd54..b62619e5d 100644 --- a/Cantera/src/thermo/MargulesVPSSTP.cpp +++ b/Cantera/src/thermo/MargulesVPSSTP.cpp @@ -499,7 +499,7 @@ namespace Cantera { void MargulesVPSSTP::getPartialMolarVolumes(doublereal* vbar) const { size_t iA, iB, delAK, delBK; - double XA, XB, XK, g0 , g1; + double XA, XB, g0 , g1; double T = temperature(); /* @@ -513,7 +513,6 @@ namespace Cantera { for (size_t iK = 0; iK < m_kk; iK++) { delAK = 0; delBK = 0; - XK = moleFractions_[iK]; for (size_t i = 0; i < numBinaryInteractions_; i++) { iA = m_pSpecies_A_ij[i]; @@ -652,16 +651,13 @@ namespace Cantera { */ void MargulesVPSSTP::s_update_lnActCoeff() const { size_t iA, iB, iK, delAK, delBK; - double XA, XB, XK, g0 , g1; + double XA, XB, g0 , g1; double T = temperature(); double RT = GasConstant*T; fvo_zero_dbl_1(lnActCoeff_Scaled_, m_kk); for ( iK = 0; iK < m_kk; iK++ ){ - - XK = moleFractions_[iK]; - for (size_t i = 0; i < numBinaryInteractions_; i++) { iA = m_pSpecies_A_ij[i]; @@ -722,18 +718,14 @@ namespace Cantera { */ void MargulesVPSSTP::s_update_dlnActCoeff_dT() const { size_t iA, iB, iK, delAK, delBK; - double XA, XB, XK, g0 , g1; + double XA, XB, g0 , g1; double T = temperature(); double RTT = GasConstant*T*T; fvo_zero_dbl_1(dlnActCoeffdT_Scaled_, m_kk); for ( iK = 0; iK < m_kk; iK++ ){ - - XK = moleFractions_[iK]; - for (size_t i = 0; i < numBinaryInteractions_; i++) { - iA = m_pSpecies_A_ij[i]; iB = m_pSpecies_B_ij[i]; @@ -796,7 +788,7 @@ namespace Cantera { */ void MargulesVPSSTP::getdlnActCoeff(const doublereal dT, const doublereal * const dX, doublereal* dlnActCoeff) const { size_t iA, iB, iK, delAK, delBK; - double XA, XB, XK, g0 , g1, dXA, dXB; + double XA, XB, g0 , g1, dXA, dXB; double T = temperature(); double RT = GasConstant*T; @@ -804,10 +796,7 @@ namespace Cantera { s_update_dlnActCoeff_dT(); for ( iK = 0; iK < m_kk; iK++ ){ - - XK = moleFractions_[iK]; dlnActCoeff[iK] = 0.0; - for (size_t i = 0; i < numBinaryInteractions_; i++) { iA = m_pSpecies_A_ij[i]; diff --git a/Cantera/src/thermo/VPSSMgrFactory.cpp b/Cantera/src/thermo/VPSSMgrFactory.cpp index db82f5087..24b03991b 100644 --- a/Cantera/src/thermo/VPSSMgrFactory.cpp +++ b/Cantera/src/thermo/VPSSMgrFactory.cpp @@ -268,15 +268,6 @@ namespace Cantera { vpss = newVPSSMgr(type, vp_ptr); return vpss; } - - - // If it comes back as general, then there may be some unknown - // parameterizations to the SpeciesThermo factory routine. - bool haveSomeUnknowns = true; - GeneralSpeciesThermo *ttmp = dynamic_cast(spth); - if (ttmp == 0) { - haveSomeUnknowns = false; - } // Handle special cases based on the VPStandardState types if (vp_ptr->eosType() == cVPSS_IdealGas) { diff --git a/Cantera/src/thermo/WaterPropsIAPWS.cpp b/Cantera/src/thermo/WaterPropsIAPWS.cpp index ac7a22fd3..b2cb0c97d 100644 --- a/Cantera/src/thermo/WaterPropsIAPWS.cpp +++ b/Cantera/src/thermo/WaterPropsIAPWS.cpp @@ -528,7 +528,6 @@ doublereal WaterPropsIAPWS::psat(doublereal temperature, int waterState) { return P_c; } doublereal p = psat_est(temperature); - bool conv = false; for (int i = 0; i < 30; i++) { if (method == 1) { corr(temperature, p, densLiq, densGas, delGRT); @@ -541,11 +540,9 @@ doublereal WaterPropsIAPWS::psat(doublereal temperature, int waterState) { p += dp; if ((method == 1) && delGRT < 1.0E-8) { - conv = true; break; } else { if (fabs(dp/p) < 1.0E-9) { - conv = true; break; } } diff --git a/Cantera/src/transport/MMCollisionInt.cpp b/Cantera/src/transport/MMCollisionInt.cpp index 65cce28a9..5c859d1e0 100755 --- a/Cantera/src/transport/MMCollisionInt.cpp +++ b/Cantera/src/transport/MMCollisionInt.cpp @@ -456,14 +456,12 @@ namespace Cantera { w[0]= -1.0; rmserr = polyfit(n, logT, DATA_PTR(values), DATA_PTR(w), degree, ndeg, 0.0, o22); -#ifdef DEBUG_MODE - if (m_loglevel > 0 && rmserr > 0.01) { + if (DEBUG_MODE_ENABLED && m_loglevel > 0 && rmserr > 0.01) { char p[100]; sprintf(p, "Warning: RMS error = %12.6g in omega_22 fit" "with delta* = %12.6g\n", rmserr, deltastar); m_xml->XML_comment(logfile, p); } -#endif } void MMCollisionInt::fit(ostream& logfile, int degree, @@ -500,8 +498,7 @@ namespace Cantera { w[0]= -1.0; rmserr = polyfit(n, logT, DATA_PTR(values), DATA_PTR(w), degree, ndeg, 0.0, c); -#ifdef DEBUG_MODE - if (m_loglevel > 2) { + if (DEBUG_MODE_ENABLED && m_loglevel > 2) { char p[100]; sprintf(p, " dstar=\"%12.6g\"", deltastar); m_xml->XML_open(logfile, "tstar_fit", p); @@ -526,7 +523,6 @@ namespace Cantera { } m_xml->XML_close(logfile, "tstar_fit"); } -#endif } } // namespace diff --git a/Cantera/src/transport/TransportFactory.cpp b/Cantera/src/transport/TransportFactory.cpp index bee306131..21d303587 100644 --- a/Cantera/src/transport/TransportFactory.cpp +++ b/Cantera/src/transport/TransportFactory.cpp @@ -135,7 +135,7 @@ namespace Cantera { doublereal w1, w2, wsum, sig1, sig2, sig12, sigratio, sigratio2, sigratio3, tstar1, tstar2, tstar12, - om22_1, om22_2, om22_12, om11_12, astar_12, bstar_12, cstar_12, + om22_1, om22_2, om11_12, astar_12, bstar_12, cstar_12, cnst, wmwp, sqw12, p1, p2, p12, q1, q2, q12; w1 = tr.mw[k]; @@ -157,7 +157,6 @@ namespace Cantera { om22_1 = m_integrals->omega22(tstar1, tr.delta(k,k)); om22_2 = m_integrals->omega22(tstar2, tr.delta(j,j)); - om22_12 = m_integrals->omega22(tstar12, tr.delta(k,j)); om11_12 = m_integrals->omega11(tstar12, tr.delta(k,j)); astar_12 = m_integrals->astar(tstar12, tr.delta(k,j)); bstar_12 = m_integrals->bstar(tstar12, tr.delta(k,j)); @@ -1147,7 +1146,6 @@ namespace Cantera { "*** polynomial coefficients not printed (log_level < 2) ***"); } #endif - int ipoly; doublereal sqrt_T, visc, err, relerr, mxerr = 0.0, mxrelerr = 0.0, mxerr_cond = 0.0, mxrelerr_cond = 0.0; @@ -1339,8 +1337,6 @@ namespace Cantera { for (size_t k = 0; k < tr.nsp_; k++) { for (size_t j = k; j < tr.nsp_; j++) { - - ipoly = tr.poly[k][j]; for (size_t n = 0; n < np; n++) { t = tr.tmin + dt*n; diff --git a/ext/tpx/Heptane.cpp b/ext/tpx/Heptane.cpp index 36a9580f8..505507b4a 100755 --- a/ext/tpx/Heptane.cpp +++ b/ext/tpx/Heptane.cpp @@ -213,7 +213,6 @@ double Heptane::up() { * see Reynolds eqn (16) section 2 */ double Heptane::sp() { - double Tinverse = 1.0/T; double T2inverse = pow(T, -2); double T3inverse = pow(T, -3); double T4inverse = pow(T, -4); diff --git a/tools/testtools/csvdiff.cpp b/tools/testtools/csvdiff.cpp index 81e2da83f..f1513d511 100644 --- a/tools/testtools/csvdiff.cpp +++ b/tools/testtools/csvdiff.cpp @@ -253,7 +253,6 @@ static void get_sizes(FILE *fp, int &nTitleLines, int &nColTitleLines, int nScanLinesMAX = 100; int nScanLines = nScanLinesMAX; int retn, i, j; - int nLines = 0; int maxCommas = 0; TOKEN fieldToken; char *scanLine = mdp_alloc_char_1(MAX_INPUT_STR_LN+1, '\0'); @@ -392,7 +391,6 @@ static void get_sizes(FILE *fp, int &nTitleLines, int &nColTitleLines, for (i = nColTitleLines + nTitleLines; ; i++) { retn = read_line(fp, scanLine, 0); if (retn == -1) { - nLines = i+1; nDataRows = i - nColTitleLines - nTitleLines + 1; break; } @@ -634,7 +632,6 @@ int main(int argc, char *argv[]) int *ColIsFloat1 = NULL, *ColIsFloat2 = NULL; double *curVarValues1 = NULL, *curVarValues2 = NULL; char ** curStringValues1 = NULL, **curStringValues2 = NULL; - int mixed_var = 0; int i, j, ndiff, jmax, i1, i2, k, found; double max_diff, rel_diff; int testPassed = RT_PASSED; @@ -828,11 +825,9 @@ int main(int argc, char *argv[]) * Get the number of column variables in each file */ - mixed_var = FALSE; if (nCol1 != nCol2) { printf("Number of column variables differ:, %d %d\n", nCol1, nCol2); - mixed_var = TRUE; testPassed = RT_FAILED_OTHER; } else if (Debug_Flag) { printf("Number of column variables in both files = %d\n", @@ -863,7 +858,6 @@ int main(int argc, char *argv[]) compColList[nColcomparisons][1] = j; nColcomparisons++; found = TRUE; - if (i != j) mixed_var = 1; break; } }