Changed old to new style headers.
This commit is contained in:
parent
72b38cd0e6
commit
ff6aff01aa
21 changed files with 120 additions and 103 deletions
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@ -32,7 +32,8 @@ using namespace std;
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#include "stringUtils.h"
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#include "stringUtils.h"
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#include "MultiPhase.h"
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#include "MultiPhase.h"
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#include "stdio.h"
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#include <cstdio>
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int Cantera::ChemEquil_print_lvl = 0;
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int Cantera::ChemEquil_print_lvl = 0;
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//static char sbuf[1024];
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//static char sbuf[1024];
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#ifndef MIN
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#ifndef MIN
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@ -193,8 +193,6 @@ namespace Cantera {
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m_phase[n]->setTemperature(m_temp);
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m_phase[n]->setTemperature(m_temp);
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m_phase[n]->setMoleFractions_NoNorm(DATA_PTR(m_moleFractions) + m_spstart[n]);
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m_phase[n]->setMoleFractions_NoNorm(DATA_PTR(m_moleFractions) + m_spstart[n]);
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m_phase[n]->setPressure(m_press);
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m_phase[n]->setPressure(m_press);
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//m_phase[n]->setState_TPX(m_temp, m_press,
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// DATA_PTR(m_moleFractions) + m_spstart[n]);
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return *m_phase[n];
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return *m_phase[n];
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}
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}
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@ -455,6 +453,13 @@ namespace Cantera {
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}
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}
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}
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}
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void MultiPhase::setState_TP(const doublereal T, const doublereal Pres) {
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if (!m_init) init();
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m_temp = T;
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m_press = Pres;
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updatePhases();
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}
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void MultiPhase::setState_TPMoles(const doublereal T, const doublereal Pres,
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void MultiPhase::setState_TPMoles(const doublereal T, const doublereal Pres,
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const doublereal *n) {
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const doublereal *n) {
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m_temp = T;
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m_temp = T;
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@ -319,6 +319,14 @@ namespace Cantera {
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*/
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*/
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void setTemperature(const doublereal T);
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void setTemperature(const doublereal T);
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//! Set the state of the underlying ThermoPhase objects in one call
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/*!
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* @param T Temperature of the system (kelvin)
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* @param Pres pressure of the system (pascal)
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* (kmol)
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*/
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void setState_TP(const doublereal T, const doublereal Pres);
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//! Set the state of the underlying ThermoPhase objects in one call
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//! Set the state of the underlying ThermoPhase objects in one call
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/*!
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/*!
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* @param T Temperature of the system (kelvin)
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* @param T Temperature of the system (kelvin)
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@ -866,7 +866,7 @@ namespace Cantera {
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return m_mix->phaseMoles(iph);
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return m_mix->phaseMoles(iph);
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}
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}
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#include <stdio.h>
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#include <cstdio>
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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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@ -4,9 +4,6 @@
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/*
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/*
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* $Id $
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* $Id $
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*/
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*/
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#include <stdio.h>
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#include <stdlib.h>
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#include <math.h>
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#include "vcs_defs.h"
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#include "vcs_defs.h"
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#include "vcs_SpeciesProperties.h"
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#include "vcs_SpeciesProperties.h"
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@ -14,6 +11,10 @@
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#include "vcs_species_thermo.h"
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#include "vcs_species_thermo.h"
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#include "vcs_internal.h"
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#include "vcs_internal.h"
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#include <cstdio>
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#include <cstdlib>
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#include <cmath>
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using namespace std;
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using namespace std;
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namespace VCSnonideal {
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namespace VCSnonideal {
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@ -7,15 +7,16 @@
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/* $Date$ */
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/* $Date$ */
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/* $Revision$ */
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/* $Revision$ */
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/* ======================================================================= */
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/* ======================================================================= */
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#include <stdio.h>
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#include <stdlib.h>
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#include <math.h>
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#include "vcs_solve.h"
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#include "vcs_solve.h"
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#include "vcs_internal.h"
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#include "vcs_internal.h"
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#include "vcs_species_thermo.h"
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#include "vcs_species_thermo.h"
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#include "vcs_VolPhase.h"
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#include "vcs_VolPhase.h"
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#include <cstdio>
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#include <cstdlib>
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#include <cmath>
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namespace VCSnonideal {
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namespace VCSnonideal {
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/*****************************************************************************/
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/*****************************************************************************/
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@ -249,11 +249,11 @@ namespace VCSnonideal {
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#ifdef DEBUG_MODE
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#ifdef DEBUG_MODE
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if (nspecies <= 0) {
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if (nspecies <= 0) {
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plogf("nspecies Error\n");
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plogf("nspecies Error\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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if (phaseNum < 0) {
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if (phaseNum < 0) {
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plogf("phaseNum should be greater than 0\n");
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plogf("phaseNum should be greater than 0\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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#endif
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#endif
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setTotalMolesInert(molesInert);
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setTotalMolesInert(molesInert);
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@ -264,7 +264,7 @@ namespace VCSnonideal {
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if (strcmp(PhaseName.c_str(), phaseName)) {
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if (strcmp(PhaseName.c_str(), phaseName)) {
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plogf("Strings are different: %s %s :unknown situation\n",
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plogf("Strings are different: %s %s :unknown situation\n",
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PhaseName.c_str(), phaseName);
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PhaseName.c_str(), phaseName);
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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} else {
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} else {
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VP_ID = phaseNum;
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VP_ID = phaseNum;
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@ -529,13 +529,13 @@ namespace VCSnonideal {
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// is set to a normal settting.
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// is set to a normal settting.
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if (vcsStateStatus != VCS_STATECALC_TMP) {
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if (vcsStateStatus != VCS_STATECALC_TMP) {
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printf("vcs_VolPhase::setMolesFractionsState: inappropriate usage\n");
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printf("vcs_VolPhase::setMolesFractionsState: inappropriate usage\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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m_UpToDate = false;
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m_UpToDate = false;
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m_vcsStateStatus = VCS_STATECALC_TMP;
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m_vcsStateStatus = VCS_STATECALC_TMP;
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if (m_existence == VCS_PHASE_EXIST_ZEROEDPHASE ) {
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if (m_existence == VCS_PHASE_EXIST_ZEROEDPHASE ) {
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printf("vcs_VolPhase::setMolesFractionsState: inappropriate usage\n");
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printf("vcs_VolPhase::setMolesFractionsState: inappropriate usage\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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m_existence = VCS_PHASE_EXIST_YES;
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m_existence = VCS_PHASE_EXIST_YES;
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} else {
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} else {
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@ -553,7 +553,7 @@ namespace VCSnonideal {
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}
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}
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if (sum == 0.0) {
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if (sum == 0.0) {
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printf("vcs_VolPhase::setMolesFractionsState: inappropriate usage\n");
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printf("vcs_VolPhase::setMolesFractionsState: inappropriate usage\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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if (sum != 1.0) {
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if (sum != 1.0) {
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for (int k = 0; k < m_numSpecies; k++) {
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for (int k = 0; k < m_numSpecies; k++) {
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@ -588,7 +588,7 @@ namespace VCSnonideal {
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#ifdef DEBUG_MODE
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#ifdef DEBUG_MODE
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if (m_owningSolverObject == 0) {
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if (m_owningSolverObject == 0) {
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printf("vcs_VolPhase::setMolesFromVCS shouldn't be here\n");
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printf("vcs_VolPhase::setMolesFromVCS shouldn't be here\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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#endif
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#endif
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if (stateCalc == VCS_STATECALC_OLD) {
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if (stateCalc == VCS_STATECALC_OLD) {
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@ -599,7 +599,7 @@ namespace VCSnonideal {
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#ifdef DEBUG_MODE
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#ifdef DEBUG_MODE
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else {
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else {
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printf("vcs_VolPhase::setMolesFromVCS shouldn't be here\n");
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printf("vcs_VolPhase::setMolesFromVCS shouldn't be here\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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#endif
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#endif
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}
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}
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@ -609,12 +609,12 @@ namespace VCSnonideal {
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if (stateCalc == VCS_STATECALC_OLD) {
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if (stateCalc == VCS_STATECALC_OLD) {
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if (molesSpeciesVCS != VCS_DATA_PTR(m_owningSolverObject->m_molNumSpecies_old)) {
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if (molesSpeciesVCS != VCS_DATA_PTR(m_owningSolverObject->m_molNumSpecies_old)) {
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printf("vcs_VolPhase::setMolesFromVCS shouldn't be here\n");
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printf("vcs_VolPhase::setMolesFromVCS shouldn't be here\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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} else if (stateCalc == VCS_STATECALC_NEW) {
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} else if (stateCalc == VCS_STATECALC_NEW) {
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if (molesSpeciesVCS != VCS_DATA_PTR(m_owningSolverObject->m_molNumSpecies_new)) {
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if (molesSpeciesVCS != VCS_DATA_PTR(m_owningSolverObject->m_molNumSpecies_new)) {
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printf("vcs_VolPhase::setMolesFromVCS shouldn't be here\n");
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printf("vcs_VolPhase::setMolesFromVCS shouldn't be here\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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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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@ -718,7 +718,7 @@ namespace VCSnonideal {
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plogf("vcs_VolPhase::setMolesFromVCSCheck: "
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plogf("vcs_VolPhase::setMolesFromVCSCheck: "
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"We have a consistency problem: %21.16g %21.16g\n",
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"We have a consistency problem: %21.16g %21.16g\n",
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Tcheck, v_totalMoles);
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Tcheck, v_totalMoles);
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std::exit(-1);
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exit(EXIT_FAILURE);
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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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@ -962,7 +962,7 @@ namespace VCSnonideal {
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m_totalVol += volI;
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m_totalVol += volI;
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} else {
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} else {
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printf("unknown situation\n");
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printf("unknown situation\n");
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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}
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}
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m_UpToDate_VolPM = true;
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m_UpToDate_VolPM = true;
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@ -1185,7 +1185,7 @@ namespace VCSnonideal {
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printf(" vcs_VolPhase::setTotalMoles:: ERROR totalMoles "
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printf(" vcs_VolPhase::setTotalMoles:: ERROR totalMoles "
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"less than inert moles: %g %g\n",
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"less than inert moles: %g %g\n",
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totalMols, m_totalMolesInert);
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totalMols, m_totalMolesInert);
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std::exit(-1);
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exit(EXIT_FAILURE);
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}
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}
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#endif
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#endif
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} else {
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} else {
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@ -1311,7 +1311,7 @@ namespace VCSnonideal {
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#ifdef DEBUG_MODE
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#ifdef DEBUG_MODE
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plogf("vcs_VolPhase::setExistence setting false existence for phase with moles");
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plogf("vcs_VolPhase::setExistence setting false existence for phase with moles");
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plogendl();
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plogendl();
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exit(-1);
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exit(EXIT_FAILURE);
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#endif
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#endif
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v_totalMoles = 0.0;
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v_totalMoles = 0.0;
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}
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}
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@ -1322,7 +1322,7 @@ namespace VCSnonideal {
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if (v_totalMoles == 0.0) {
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if (v_totalMoles == 0.0) {
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plogf("vcs_VolPhase::setExistence setting true existence for phase with no moles");
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plogf("vcs_VolPhase::setExistence setting true existence for phase with no moles");
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plogendl();
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plogendl();
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exit(-1);
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exit(EXIT_FAILURE);
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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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@ -17,9 +17,9 @@
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#include "vcs_internal.h"
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#include "vcs_internal.h"
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#include "vcs_VolPhase.h"
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#include "vcs_VolPhase.h"
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#include <stdio.h>
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#include <cstdio>
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#include <stdlib.h>
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#include <cstdlib>
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#include <math.h>
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#include <cmath>
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namespace VCSnonideal {
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namespace VCSnonideal {
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@ -19,9 +19,9 @@
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#include "clockWC.h"
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#include "clockWC.h"
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#include <stdio.h>
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#include <cstdio>
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#include <stdlib.h>
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#include <cstdlib>
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#include <math.h>
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#include <cmath>
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namespace VCSnonideal {
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namespace VCSnonideal {
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@ -242,8 +242,8 @@ namespace VCSnonideal {
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* cylinder floating on the water is calculated.
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* cylinder floating on the water is calculated.
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*
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*
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* @verbatim
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* @verbatim
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#include "math.h"
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#include <cmath>
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#include "stdlib.h"
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#include <cstdlib>
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#include "Cantera.h"
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#include "Cantera.h"
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#include "kernel/vcs_internal.h"
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#include "kernel/vcs_internal.h"
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//! available if this ever fails.
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//! available if this ever fails.
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#define USE_MEMSET
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#define USE_MEMSET
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#ifdef USE_MEMSET
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#ifdef USE_MEMSET
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#include <string.h>
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#include <cstring>
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//! Zero a double vector
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//! Zero a double vector
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/*!
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/*!
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@ -9,9 +9,6 @@
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* U.S. Government retains certain rights in this software.
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* U.S. Government retains certain rights in this software.
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*/
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*/
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#include <stdio.h>
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#include <stdlib.h>
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#include <math.h>
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#ifdef hpux
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#ifdef hpux
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#define dbocls_ dbocls
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#define dbocls_ dbocls
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@ -23,6 +20,10 @@
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#include "vcs_internal.h"
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#include "vcs_internal.h"
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#include "vcs_solve.h"
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#include "vcs_solve.h"
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#include <cstdio>
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#include <cstdlib>
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#include <cmath>
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extern "C" void dbocls_(double *W, int *MDW, int *MCON, int *MROWS,
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extern "C" void dbocls_(double *W, int *MDW, int *MCON, int *MROWS,
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int *NCOLS,
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int *NCOLS,
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double *BL, double *BU, int *IND, int *IOPT,
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double *BL, double *BU, int *IND, int *IOPT,
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@ -10,15 +10,16 @@
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* Contract DE-AC04-94AL85000 with Sandia Corporation, the
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* Contract DE-AC04-94AL85000 with Sandia Corporation, the
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* U.S. Government retains certain rights in this software.
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* U.S. Government retains certain rights in this software.
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*/
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*/
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#include <stdio.h>
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#include <stdlib.h>
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#include <math.h>
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#include "vcs_solve.h"
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#include "vcs_solve.h"
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#include "vcs_internal.h"
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#include "vcs_internal.h"
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#include "vcs_VolPhase.h"
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#include "vcs_VolPhase.h"
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#include "stringUtils.h"
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#include "stringUtils.h"
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#include <cstdio>
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#include <cstdlib>
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#include <cmath>
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namespace VCSnonideal {
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namespace VCSnonideal {
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// Returns the multiplier for electric charge terms
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// Returns the multiplier for electric charge terms
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@ -14,18 +14,14 @@
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#include "vcs_species_thermo.h"
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#include "vcs_species_thermo.h"
|
||||||
#include "vcs_VolPhase.h"
|
#include "vcs_VolPhase.h"
|
||||||
|
|
||||||
#include <stdio.h>
|
#include <cstdio>
|
||||||
#include <stdlib.h>
|
#include <cstdlib>
|
||||||
#include <math.h>
|
#include <cmath>
|
||||||
#include <vector>
|
#include <vector>
|
||||||
|
|
||||||
using namespace std;
|
using namespace std;
|
||||||
|
|
||||||
namespace VCSnonideal {
|
namespace VCSnonideal {
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
int VCS_SOLVE::vcs_phaseStabilityTest(const int iph) {
|
int VCS_SOLVE::vcs_phaseStabilityTest(const int iph) {
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -12,9 +12,6 @@
|
||||||
* Contract DE-AC04-94AL85000 with Sandia Corporation, the
|
* Contract DE-AC04-94AL85000 with Sandia Corporation, the
|
||||||
* U.S. Government retains certain rights in this software.
|
* U.S. Government retains certain rights in this software.
|
||||||
*/
|
*/
|
||||||
#include <stdio.h>
|
|
||||||
#include <stdlib.h>
|
|
||||||
#include <math.h>
|
|
||||||
|
|
||||||
#include "vcs_solve.h"
|
#include "vcs_solve.h"
|
||||||
#include "vcs_internal.h"
|
#include "vcs_internal.h"
|
||||||
|
|
@ -22,6 +19,10 @@
|
||||||
#include "vcs_VolPhase.h"
|
#include "vcs_VolPhase.h"
|
||||||
#include "vcs_SpeciesProperties.h"
|
#include "vcs_SpeciesProperties.h"
|
||||||
|
|
||||||
|
#include <cstdio>
|
||||||
|
#include <cstdlib>
|
||||||
|
#include <cmath>
|
||||||
|
|
||||||
namespace VCSnonideal {
|
namespace VCSnonideal {
|
||||||
|
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -11,13 +11,14 @@
|
||||||
* U.S. Government retains certain rights in this software.
|
* U.S. Government retains certain rights in this software.
|
||||||
*/
|
*/
|
||||||
|
|
||||||
#include <stdio.h>
|
|
||||||
#include <stdlib.h>
|
|
||||||
#include <math.h>
|
|
||||||
|
|
||||||
#include "vcs_solve.h"
|
#include "vcs_solve.h"
|
||||||
#include "vcs_internal.h"
|
#include "vcs_internal.h"
|
||||||
|
|
||||||
|
#include <cstdio>
|
||||||
|
#include <cstdlib>
|
||||||
|
#include <cmath>
|
||||||
|
|
||||||
|
|
||||||
namespace VCSnonideal {
|
namespace VCSnonideal {
|
||||||
|
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -8,14 +8,15 @@
|
||||||
* U.S. Government retains certain rights in this software.
|
* U.S. Government retains certain rights in this software.
|
||||||
*/
|
*/
|
||||||
|
|
||||||
#include <stdio.h>
|
|
||||||
#include <stdlib.h>
|
|
||||||
#include <math.h>
|
|
||||||
|
|
||||||
#include "vcs_solve.h"
|
#include "vcs_solve.h"
|
||||||
#include "vcs_internal.h"
|
#include "vcs_internal.h"
|
||||||
#include "vcs_VolPhase.h"
|
#include "vcs_VolPhase.h"
|
||||||
|
|
||||||
|
#include <cstdio>
|
||||||
|
#include <cstdlib>
|
||||||
|
#include <cmath>
|
||||||
|
|
||||||
namespace VCSnonideal {
|
namespace VCSnonideal {
|
||||||
|
|
||||||
/*****************************************************************************/
|
/*****************************************************************************/
|
||||||
|
|
|
||||||
|
|
@ -11,12 +11,13 @@
|
||||||
* U.S. Government retains certain rights in this software.
|
* U.S. Government retains certain rights in this software.
|
||||||
*/
|
*/
|
||||||
|
|
||||||
#include <stdio.h>
|
|
||||||
#include <stdlib.h>
|
|
||||||
#include <math.h>
|
|
||||||
|
|
||||||
#include "vcs_internal.h"
|
#include "vcs_internal.h"
|
||||||
|
|
||||||
|
#include <cstdio>
|
||||||
|
#include <cstdlib>
|
||||||
|
#include <cmath>
|
||||||
|
|
||||||
namespace VCSnonideal {
|
namespace VCSnonideal {
|
||||||
|
|
||||||
#define TOL_CONV 1.0E-5
|
#define TOL_CONV 1.0E-5
|
||||||
|
|
@ -51,8 +52,8 @@ static void print_funcEval(FILE *fp, double xval, double fval, int its)
|
||||||
* cylinder floating on water is calculated.
|
* cylinder floating on water is calculated.
|
||||||
*
|
*
|
||||||
* @verbatim
|
* @verbatim
|
||||||
* #include "math.h"
|
* #include <cmath>
|
||||||
* #include "stdlib.h"
|
* #include <cstdlib>
|
||||||
*
|
*
|
||||||
* #include "Cantera.h"
|
* #include "Cantera.h"
|
||||||
* #include "kernel/vcs_internal.h"
|
* #include "kernel/vcs_internal.h"
|
||||||
|
|
|
||||||
|
|
@ -15,9 +15,9 @@
|
||||||
#include "vcs_internal.h"
|
#include "vcs_internal.h"
|
||||||
#include "vcs_VolPhase.h"
|
#include "vcs_VolPhase.h"
|
||||||
|
|
||||||
#include <stdio.h>
|
#include <cstdio>
|
||||||
#include <stdlib.h>
|
#include <cstdlib>
|
||||||
#include <math.h>
|
#include <cmath>
|
||||||
|
|
||||||
namespace VCSnonideal {
|
namespace VCSnonideal {
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -11,16 +11,16 @@
|
||||||
* U.S. Government retains certain rights in this software.
|
* U.S. Government retains certain rights in this software.
|
||||||
*/
|
*/
|
||||||
|
|
||||||
#include <stdio.h>
|
|
||||||
#include <stdlib.h>
|
|
||||||
#include <math.h>
|
|
||||||
|
|
||||||
#include "vcs_internal.h"
|
#include "vcs_internal.h"
|
||||||
#include "vcs_VolPhase.h"
|
#include "vcs_VolPhase.h"
|
||||||
#include "vcs_species_thermo.h"
|
#include "vcs_species_thermo.h"
|
||||||
#include "vcs_solve.h"
|
#include "vcs_solve.h"
|
||||||
|
|
||||||
#include <math.h>
|
#include <cstdio>
|
||||||
|
#include <cstdlib>
|
||||||
|
#include <cmath>
|
||||||
|
|
||||||
#include <iostream>
|
#include <iostream>
|
||||||
using namespace std;
|
using namespace std;
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -63,7 +63,7 @@ namespace VCSnonideal {
|
||||||
double denom = MAX(m_totalMolNum, 1.0E-4);
|
double denom = MAX(m_totalMolNum, 1.0E-4);
|
||||||
if (!vcs_doubleEqual(dchange[iphase]/denom, delTPhMoles[iphase]/denom)) {
|
if (!vcs_doubleEqual(dchange[iphase]/denom, delTPhMoles[iphase]/denom)) {
|
||||||
plogf("checkDelta1: we have found a problem\n");
|
plogf("checkDelta1: we have found a problem\n");
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
@ -333,7 +333,7 @@ namespace VCSnonideal {
|
||||||
default:
|
default:
|
||||||
plogf(" --- Unknown type - ERROR %d\n", m_speciesStatus[kspec]);
|
plogf(" --- Unknown type - ERROR %d\n", m_speciesStatus[kspec]);
|
||||||
plogendl();
|
plogendl();
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
@ -944,7 +944,7 @@ namespace VCSnonideal {
|
||||||
m_deltaMolNumSpecies[kspec], dx, kspec);
|
m_deltaMolNumSpecies[kspec], dx, kspec);
|
||||||
plogf("we have a problem!");
|
plogf("we have a problem!");
|
||||||
plogendl();
|
plogendl();
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
for (k = 0; k < m_numComponents; ++k) {
|
for (k = 0; k < m_numComponents; ++k) {
|
||||||
|
|
@ -1079,7 +1079,7 @@ namespace VCSnonideal {
|
||||||
plogf("vcs_solve_TP: ERROR on step change wt[%d:%s]: %g < 0.0",
|
plogf("vcs_solve_TP: ERROR on step change wt[%d:%s]: %g < 0.0",
|
||||||
kspec, m_speciesName[kspec].c_str(), m_molNumSpecies_new[kspec]);
|
kspec, m_speciesName[kspec].c_str(), m_molNumSpecies_new[kspec]);
|
||||||
plogendl();
|
plogendl();
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
|
|
@ -1340,7 +1340,7 @@ namespace VCSnonideal {
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
plogf(" --- BASOPT returned with an error condition\n");
|
plogf(" --- BASOPT returned with an error condition\n");
|
||||||
#endif
|
#endif
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
vcs_setFlagsVolPhases(false, VCS_STATECALC_OLD);
|
vcs_setFlagsVolPhases(false, VCS_STATECALC_OLD);
|
||||||
vcs_dfe(VCS_STATECALC_OLD, 0, 0, m_numSpeciesRdc);
|
vcs_dfe(VCS_STATECALC_OLD, 0, 0, m_numSpeciesRdc);
|
||||||
|
|
@ -2157,7 +2157,7 @@ namespace VCSnonideal {
|
||||||
if (irxn < 0) {
|
if (irxn < 0) {
|
||||||
plogf(" --- delete_species() ERROR: called for a component %d", kspec);
|
plogf(" --- delete_species() ERROR: called for a component %d", kspec);
|
||||||
plogendl();
|
plogendl();
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
|
if (m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
|
||||||
|
|
@ -2278,7 +2278,7 @@ namespace VCSnonideal {
|
||||||
if (! retn) {
|
if (! retn) {
|
||||||
plogf("Failed to delete a species!");
|
plogf("Failed to delete a species!");
|
||||||
plogendl();
|
plogendl();
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
/*
|
/*
|
||||||
|
|
@ -3311,7 +3311,7 @@ namespace VCSnonideal {
|
||||||
int numPreDeleted = m_numRxnTot - m_numRxnRdc;
|
int numPreDeleted = m_numRxnTot - m_numRxnRdc;
|
||||||
if (numPreDeleted != (m_numSpeciesTot - m_numSpeciesRdc)) {
|
if (numPreDeleted != (m_numSpeciesTot - m_numSpeciesRdc)) {
|
||||||
plogf("vcs_basopt:: we shouldn't be here\n");
|
plogf("vcs_basopt:: we shouldn't be here\n");
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
m_numRxnTot = m_numSpeciesTot - ncTrial;
|
m_numRxnTot = m_numSpeciesTot - ncTrial;
|
||||||
m_numRxnRdc = m_numRxnTot - numPreDeleted;
|
m_numRxnRdc = m_numRxnTot - numPreDeleted;
|
||||||
|
|
@ -3967,11 +3967,11 @@ namespace VCSnonideal {
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (molNum[kspec] != phi) {
|
if (molNum[kspec] != phi) {
|
||||||
plogf("We have an inconsistency!\n");
|
plogf("We have an inconsistency!\n");
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
if (m_chargeSpecies[kspec] != -1.0) {
|
if (m_chargeSpecies[kspec] != -1.0) {
|
||||||
plogf("We have an unexpected situation!\n");
|
plogf("We have an unexpected situation!\n");
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
mu_i[kspec] = m_SSfeSpecies[kspec] + m_chargeSpecies[kspec] * Faraday_phi;
|
mu_i[kspec] = m_SSfeSpecies[kspec] + m_chargeSpecies[kspec] * Faraday_phi;
|
||||||
|
|
@ -4145,14 +4145,14 @@ namespace VCSnonideal {
|
||||||
plogf("vcs_dfe: wrong stateCalc value");
|
plogf("vcs_dfe: wrong stateCalc value");
|
||||||
plogf(" --- Subroutine vcs_dfe called with bad stateCalc value: %d", stateCalc);
|
plogf(" --- Subroutine vcs_dfe called with bad stateCalc value: %d", stateCalc);
|
||||||
plogendl();
|
plogendl();
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (m_unitsState == VCS_DIMENSIONAL_G) {
|
if (m_unitsState == VCS_DIMENSIONAL_G) {
|
||||||
printf("vcs_dfe: called with wrong units state\n");
|
printf("vcs_dfe: called with wrong units state\n");
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
|
@ -4196,7 +4196,7 @@ namespace VCSnonideal {
|
||||||
if (! vcs_doubleEqual(tlogMoles[iph], tPhMoles_ptr[iph])) {
|
if (! vcs_doubleEqual(tlogMoles[iph], tPhMoles_ptr[iph])) {
|
||||||
plogf("phase Moles may be off, iph = %d, %20.14g %20.14g \n",
|
plogf("phase Moles may be off, iph = %d, %20.14g %20.14g \n",
|
||||||
iph, tlogMoles[iph], tPhMoles_ptr[iph]);
|
iph, tlogMoles[iph], tPhMoles_ptr[iph]);
|
||||||
std::exit(0);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
|
|
@ -4244,11 +4244,11 @@ namespace VCSnonideal {
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (molNum[kspec] != m_phasePhi[iphase]) {
|
if (molNum[kspec] != m_phasePhi[iphase]) {
|
||||||
plogf("We have an inconsistency!\n");
|
plogf("We have an inconsistency!\n");
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
if (m_chargeSpecies[kspec] != -1.0) {
|
if (m_chargeSpecies[kspec] != -1.0) {
|
||||||
plogf("We have an unexpected situation!\n");
|
plogf("We have an unexpected situation!\n");
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
feSpecies[kspec] = m_SSfeSpecies[kspec]
|
feSpecies[kspec] = m_SSfeSpecies[kspec]
|
||||||
|
|
@ -4294,11 +4294,11 @@ namespace VCSnonideal {
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (molNum[kspec] != m_phasePhi[iphase]) {
|
if (molNum[kspec] != m_phasePhi[iphase]) {
|
||||||
plogf("We have an inconsistency!\n");
|
plogf("We have an inconsistency!\n");
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
if (m_chargeSpecies[kspec] != -1.0) {
|
if (m_chargeSpecies[kspec] != -1.0) {
|
||||||
plogf("We have an unexpected situation!\n");
|
plogf("We have an unexpected situation!\n");
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
feSpecies[kspec] = m_SSfeSpecies[kspec]
|
feSpecies[kspec] = m_SSfeSpecies[kspec]
|
||||||
|
|
@ -4345,11 +4345,11 @@ namespace VCSnonideal {
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (molNum[kspec] != m_phasePhi[iphase]) {
|
if (molNum[kspec] != m_phasePhi[iphase]) {
|
||||||
plogf("We have an inconsistency!\n");
|
plogf("We have an inconsistency!\n");
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
if (m_chargeSpecies[kspec] != -1.0) {
|
if (m_chargeSpecies[kspec] != -1.0) {
|
||||||
plogf("We have an unexpected situation!\n");
|
plogf("We have an unexpected situation!\n");
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
feSpecies[kspec] = m_SSfeSpecies[kspec]
|
feSpecies[kspec] = m_SSfeSpecies[kspec]
|
||||||
|
|
@ -4501,7 +4501,6 @@ namespace VCSnonideal {
|
||||||
if (!vcs_doubleEqual(m_tPhaseMoles_old[i]/denom, m_tPhaseMoles_old_a/denom)) {
|
if (!vcs_doubleEqual(m_tPhaseMoles_old[i]/denom, m_tPhaseMoles_old_a/denom)) {
|
||||||
plogf("check_tmoles: we have found a problem with phase %d: %20.15g, %20.15g\n",
|
plogf("check_tmoles: we have found a problem with phase %d: %20.15g, %20.15g\n",
|
||||||
i, m_tPhaseMoles_old[i], m_tPhaseMoles_old_a);
|
i, m_tPhaseMoles_old[i], m_tPhaseMoles_old_a);
|
||||||
//std::exit(-1);
|
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
@ -4532,7 +4531,7 @@ namespace VCSnonideal {
|
||||||
else {
|
else {
|
||||||
plogf("vcs_updateVP ERROR: wrong stateCalc value: %d", vcsState);
|
plogf("vcs_updateVP ERROR: wrong stateCalc value: %d", vcsState);
|
||||||
plogendl();
|
plogendl();
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
}
|
}
|
||||||
|
|
@ -4628,7 +4627,7 @@ namespace VCSnonideal {
|
||||||
actCoeffSpecies = VCS_DATA_PTR(m_actCoeffSpecies_old);
|
actCoeffSpecies = VCS_DATA_PTR(m_actCoeffSpecies_old);
|
||||||
} else {
|
} else {
|
||||||
printf("Error\n");
|
printf("Error\n");
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
|
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
|
|
@ -4843,7 +4842,7 @@ namespace VCSnonideal {
|
||||||
else {
|
else {
|
||||||
plogf("vcs_deltag_Phase: we shouldn't be here\n");
|
plogf("vcs_deltag_Phase: we shouldn't be here\n");
|
||||||
plogendl();
|
plogendl();
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
|
@ -4866,7 +4865,7 @@ namespace VCSnonideal {
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (iphase != m_phaseID[kspec]) {
|
if (iphase != m_phaseID[kspec]) {
|
||||||
plogf("vcs_deltag_Phase index error\n");
|
plogf("vcs_deltag_Phase index error\n");
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
if (kspec >= m_numComponents) {
|
if (kspec >= m_numComponents) {
|
||||||
|
|
@ -5006,11 +5005,11 @@ namespace VCSnonideal {
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (pv1->spGlobalIndexVCS(kp1) != k1) {
|
if (pv1->spGlobalIndexVCS(kp1) != k1) {
|
||||||
plogf("Indexing error in program\n");
|
plogf("Indexing error in program\n");
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
if (pv2->spGlobalIndexVCS(kp2) != k2) {
|
if (pv2->spGlobalIndexVCS(kp2) != k2) {
|
||||||
plogf("Indexing error in program\n");
|
plogf("Indexing error in program\n");
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
pv1->setSpGlobalIndexVCS(kp1, k2);
|
pv1->setSpGlobalIndexVCS(kp1, k2);
|
||||||
|
|
@ -5126,7 +5125,7 @@ namespace VCSnonideal {
|
||||||
if (m_molNumSpecies_old[kspec] != 0.0) {
|
if (m_molNumSpecies_old[kspec] != 0.0) {
|
||||||
w_kspec = 0.0;
|
w_kspec = 0.0;
|
||||||
plogf("vcs_birthGuess:: we shouldn't be here\n");
|
plogf("vcs_birthGuess:: we shouldn't be here\n");
|
||||||
std::exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
#endif
|
#endif
|
||||||
int ss = m_SSPhase[kspec];
|
int ss = m_SSPhase[kspec];
|
||||||
|
|
|
||||||
|
|
@ -21,9 +21,9 @@
|
||||||
#include "vcs_Exception.h"
|
#include "vcs_Exception.h"
|
||||||
#include "vcs_internal.h"
|
#include "vcs_internal.h"
|
||||||
|
|
||||||
#include <stdio.h>
|
#include <cstdio>
|
||||||
#include <stdlib.h>
|
#include <cstdlib>
|
||||||
#include <math.h>
|
#include <cmath>
|
||||||
|
|
||||||
using namespace std;
|
using namespace std;
|
||||||
|
|
||||||
|
|
@ -201,7 +201,7 @@ double VCS_SPECIES_THERMO::GStar_R_calc(int kglob, double TKelvin,
|
||||||
break;
|
break;
|
||||||
default:
|
default:
|
||||||
plogf("%sERROR: unknown SSStar model\n", yo);
|
plogf("%sERROR: unknown SSStar model\n", yo);
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
return fe;
|
return fe;
|
||||||
|
|
@ -243,7 +243,7 @@ VolStar_calc(int kglob, double TKelvin, double presPA)
|
||||||
break;
|
break;
|
||||||
default:
|
default:
|
||||||
plogf("%sERROR: unknown SSVol model\n", yo);
|
plogf("%sERROR: unknown SSVol model\n", yo);
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
return vol;
|
return vol;
|
||||||
|
|
@ -298,7 +298,7 @@ double VCS_SPECIES_THERMO::G0_R_calc(int kglob, double TKelvin)
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
plogf("%sERROR: unknown model\n", yo);
|
plogf("%sERROR: unknown model\n", yo);
|
||||||
#endif
|
#endif
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
SS0_feSave = fe;
|
SS0_feSave = fe;
|
||||||
|
|
@ -349,7 +349,7 @@ double VCS_SPECIES_THERMO::eval_ac(int kglob)
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
plogf("%sERROR: unknown model\n", yo);
|
plogf("%sERROR: unknown model\n", yo);
|
||||||
#endif
|
#endif
|
||||||
exit(-1);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
return ac;
|
return ac;
|
||||||
|
|
|
||||||
Loading…
Add table
Reference in a new issue