diff --git a/Cantera/src/equil/vcs_solve.cpp b/Cantera/src/equil/vcs_solve.cpp index 2474a4a57..c1b067082 100644 --- a/Cantera/src/equil/vcs_solve.cpp +++ b/Cantera/src/equil/vcs_solve.cpp @@ -142,6 +142,7 @@ namespace VCSnonideal { m_deltaGRxn_new.resize(nspecies0, 0.0); m_deltaGRxn_old.resize(nspecies0, 0.0); + m_deltaGRxn_Deficient.resize(nspecies0, 0.0); m_deltaGRxn_tmp.resize(nspecies0, 0.0); m_deltaMolNumSpecies.resize(nspecies0, 0.0); diff --git a/Cantera/src/equil/vcs_solve.h b/Cantera/src/equil/vcs_solve.h index b9b71e7c9..498b5010e 100644 --- a/Cantera/src/equil/vcs_solve.h +++ b/Cantera/src/equil/vcs_solve.h @@ -1558,6 +1558,10 @@ public: //! Last deltag[irxn] from the previous step std::vector m_deltaGRxn_old; + //! Last deltag[irxn] from the previous step with additions for + //! possible births of zeroed phases. + std::vector m_deltaGRxn_Deficient; + //! Temporary vector of Rxn DeltaG's /*! * This is used from time to time, for printing purposes diff --git a/Cantera/src/equil/vcs_solve_TP.cpp b/Cantera/src/equil/vcs_solve_TP.cpp index ae6a4a8c5..11c1aec2d 100644 --- a/Cantera/src/equil/vcs_solve_TP.cpp +++ b/Cantera/src/equil/vcs_solve_TP.cpp @@ -435,7 +435,7 @@ namespace VCSnonideal { vcs_dcopy(VCS_DATA_PTR(m_actCoeffSpecies_new), VCS_DATA_PTR(m_actCoeffSpecies_old), m_numSpeciesRdc); vcs_dcopy(VCS_DATA_PTR(m_deltaGRxn_new), VCS_DATA_PTR(m_deltaGRxn_old), m_numRxnRdc); - + vcs_dcopy(VCS_DATA_PTR(m_deltaGRxn_Deficient), VCS_DATA_PTR(m_deltaGRxn_old), m_numRxnRdc); /* Go find a new reaction adjustment -> * i.e., change in extent of reaction for each reaction. @@ -445,6 +445,7 @@ namespace VCSnonideal { * information is left from previous iterations. */ vcs_dzero(VCS_DATA_PTR(m_deltaMolNumSpecies), m_numSpeciesTot); + /* * Figure out whether we will calculate new reaction step sizes * for the major species.