diff --git a/include/cantera/thermo/LatticePhase.h b/include/cantera/thermo/LatticePhase.h index 8d75c3379..33b6ab544 100644 --- a/include/cantera/thermo/LatticePhase.h +++ b/include/cantera/thermo/LatticePhase.h @@ -216,7 +216,6 @@ namespace Cantera * * * 73.159 - * Vac_O * * * @@ -649,7 +648,6 @@ public: * * * 73.159 - * "O_vacancy" * * * @endcode @@ -685,12 +683,6 @@ protected: //! temperature mutable vector_fp m_s0_R; - //! String name for the species which represents a vacancy in the lattice - /*! - * This string is currently unused - */ - std::string m_vacancy; - //! Vector of molar volumes for each species in the solution /** * Species molar volumes \f$ m^3 kmol^-1 \f$ diff --git a/interfaces/cython/cantera/ctml_writer.py b/interfaces/cython/cantera/ctml_writer.py index 64a814117..83f095d92 100644 --- a/interfaces/cython/cantera/ctml_writer.py +++ b/interfaces/cython/cantera/ctml_writer.py @@ -2154,13 +2154,11 @@ class lattice(phase): transport = 'None', initial_state = None, options = [], - site_density = None, - vacancy_species = ''): + site_density = None): phase.__init__(self, name, 3, elements, species, note, 'none', initial_state, options) self._tr = transport self._n = site_density - self._vac = vacancy_species self._species = species if name == '': raise CTI_Error('sublattice name must be specified') @@ -2177,8 +2175,6 @@ class lattice(phase): e = ph.child('thermo') e['model'] = 'Lattice' addFloat(e, 'site_density', self._n, defunits = _umol+'/'+_ulen+'3') - if self._vac: - e.addChild('vacancy_species',self._vac) if self._tr: t = ph.addChild('transport') t['model'] = self._tr diff --git a/src/thermo/LatticePhase.cpp b/src/thermo/LatticePhase.cpp index baeb4947a..4434232f1 100644 --- a/src/thermo/LatticePhase.cpp +++ b/src/thermo/LatticePhase.cpp @@ -311,7 +311,6 @@ void LatticePhase::setParametersFromXML(const XML_Node& eosdata) { eosdata._require("model", "Lattice"); m_site_density = getFloat(eosdata, "site_density", "toSI"); - m_vacancy = getChildValue(eosdata, "vacancy_species"); } } diff --git a/test_problems/VCSnonideal/LatticeSolid_LiSi/Li7Si3_ls.xml b/test_problems/VCSnonideal/LatticeSolid_LiSi/Li7Si3_ls.xml index bfecff5ac..8b3021dd4 100644 --- a/test_problems/VCSnonideal/LatticeSolid_LiSi/Li7Si3_ls.xml +++ b/test_problems/VCSnonideal/LatticeSolid_LiSi/Li7Si3_ls.xml @@ -35,7 +35,6 @@ Li(i) V(i) 1.046344E-2 - V(i)