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Small changes to cover the situation where there isn't an

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activity coefficient XML section.
This commit is contained in:
Harry Moffat 2008-09-17 20:05:46 +00:00
parent 86b9899e74
commit 4dcb746101
2 changed files with 11 additions and 12 deletions
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1
Cantera/src/thermo/HMWSoln.cpp
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@ -1454,6 +1454,7 @@ namespace Cantera {
int leng = m_kk; int leng = m_kk;
m_electrolyteSpeciesType.resize(m_kk, cEST_polarNeutral); m_electrolyteSpeciesType.resize(m_kk, cEST_polarNeutral);
m_speciesSize.resize(leng); m_speciesSize.resize(leng);
m_speciesCharge_Stoich.resize(leng, 0.0);
m_Aionic.resize(leng, 0.0); m_Aionic.resize(leng, 0.0);
m_expg0_RT.resize(leng, 0.0); m_expg0_RT.resize(leng, 0.0);

22
Cantera/src/thermo/HMWSoln_input.cpp
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@ -1001,6 +1001,16 @@ namespace Cantera {
*/ */
m_waterProps = new WaterProps(dynamic_cast<PDSS_Water*>(m_waterSS)); m_waterProps = new WaterProps(dynamic_cast<PDSS_Water*>(m_waterSS));
/*
* Fill in parameters for the calculation of the
* stoichiometric Ionic Strength
*
* The default is that stoich charge is the same as the
* regular charge.
*/
for (k = 0; k < m_kk; k++) {
m_speciesCharge_Stoich[k] = m_speciesCharge[k];
}
/* /*
* Go get all of the coefficients and factors in the * Go get all of the coefficients and factors in the
@ -1067,18 +1077,6 @@ namespace Cantera {
} }
/*
* Fill in parameters for the calculation of the
* stoichiometric Ionic Strength
*
* The default is that stoich charge is the same as the
* regular charge.
*/
m_speciesCharge_Stoich.resize(m_kk, 0.0);
for (k = 0; k < m_kk; k++) {
m_speciesCharge_Stoich[k] = m_speciesCharge[k];
}
/* /*
* First look at the species database. * First look at the species database.
* -> Look for the subelement "stoichIsMods" * -> Look for the subelement "stoichIsMods"