diff --git a/Cantera/src/equil/vcs_phaseStability.cpp b/Cantera/src/equil/vcs_phaseStability.cpp index f86e0dad2..238d8cb2f 100644 --- a/Cantera/src/equil/vcs_phaseStability.cpp +++ b/Cantera/src/equil/vcs_phaseStability.cpp @@ -455,18 +455,6 @@ namespace VCSnonideal { // it gets created fracDelta_new = Vphase->fractionCreationDeltas(); -#ifdef DEBUG_MODE - if (m_temperature < 380.) { - // fracDelta_new[0] = 0.8; - // fracDelta_new[1] = 0.1; - // fracDelta_new[2] = 1.0E-8; - // fracDelta_new[3] = 0.1; - //fracDelta_new[4] = 1.0E-8; - } - if (m_temperature < 390.) { - printf("we are here\n"); - } -#endif bool oneIsComponent = false; std::vector componentList; @@ -487,6 +475,18 @@ namespace VCSnonideal { if (doSuccessiveSubstitution) { +#ifdef DEBUG_MODE + int KP = 0; + if (m_debug_print_lvl >= 2) { + plogf(" --- vcs_phaseStabilityTest() called\n"); + plogf(" --- Its X_old[%2d] FracDel_old[%2d] deltaF[%2d] FracDel_new[%2d]" + " normUpdate damp FuncPhaseStability\n", KP, KP, KP, KP); + plogf(" --------------------------------------------------------------" + "--------------------------------------------------------\n"); + } else { + plogf(" --- vcs_phaseStabilityTest() called for phase %d\n", iph); + } +#endif bool converged = false; for (int its = 0; its < 200 && (!converged); its++) { @@ -663,7 +663,8 @@ namespace VCSnonideal { for (k = 0; k < Vphase->nSpecies(); k++) { if (fabs(damp * delFrac[k]) > 0.3*fabs(fracDelta_old[k])) { - damp = MAX(0.3*fabs(fracDelta_old[k]) / fabs( delFrac[k]), 1.0E-8/fabs( delFrac[k])); + damp = MAX(0.3*fabs(fracDelta_old[k]) / fabs( delFrac[k]), + 1.0E-8/fabs( delFrac[k])); } if (delFrac[k] < 0.0) { if (2.0 * damp * (-delFrac[k]) > fracDelta_old[k]) { @@ -684,9 +685,13 @@ namespace VCSnonideal { fracDelta_new[k] = fracDelta_old[k] + damp * (delFrac[k]); } - - - +#ifdef DEBUG_MODE + if (m_debug_print_lvl >= 2) { + plogf(" --- %3d %12g %12g %12g %12g %12g %12g %12g\n", its, X_est[KP], fracDelta_old[KP], + delFrac[KP], fracDelta_new[KP], normUpdate, damp, funcPhaseStability); + } +#endif + if (normUpdate < 1.0E-5) { converged = true; } @@ -694,7 +699,8 @@ namespace VCSnonideal { } if (converged) { - Vphase->setMoleFractionsState(0.0, VCS_DATA_PTR(X_est), VCS_STATECALC_PHASESTABILITY); + Vphase->setMoleFractionsState(0.0, VCS_DATA_PTR(X_est), + VCS_STATECALC_PHASESTABILITY); Vphase->setFractionCreationDeltas( VCS_DATA_PTR(fracDelta_new)); } @@ -703,7 +709,18 @@ namespace VCSnonideal { printf("not done yet\n"); exit(-1); } - +#ifdef DEBUG_MODE + if (m_debug_print_lvl >= 2) { + plogf(" ------------------------------------------------------------" + "-------------------------------------------------------------\n"); + } else if (m_debug_print_lvl == 1) { + if (funcPhaseStability > 0.0) { + plogf(" --- phase %d with func = %g is to be born\n", iph, funcPhaseStability); + } else { + plogf(" --- phase %d with func = %g stays dead\n", iph, funcPhaseStability); + } + } +#endif return funcPhaseStability; }