Took the line search algorithm out , and put it into an ifdef block.
It's not needed.
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1 changed files with 4 additions and 17 deletions
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@ -915,6 +915,8 @@ namespace VCSnonideal {
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}
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}
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}
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#ifdef VCS_LINE_SEARCH
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/*********************************************************************/
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/*** LINE SEARCH ALGORITHM FOR MAJOR SPECIES IN NON-IDEAL PHASES *****/
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/*********************************************************************/
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@ -926,33 +928,18 @@ namespace VCSnonideal {
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(doPhaseDeleteIph == -1) &&
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(m_speciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE)) {
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double dx_old = dx;
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#ifdef DEBUG_HKM_NOT
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std::vector<double> feSpecies_tmp(m_numSpeciesTot);
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feSpecies_tmp = m_feSpecies_old;
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std::vector<double> molNumSpecies_tmp(m_numSpeciesTot);
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molNumSpecies_tmp = m_molNumSpecies_old;
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#endif
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#ifdef DEBUG_MODE
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dx = vcs_line_search(irxn, dx_old, ANOTE);
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#else
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dx = vcs_line_search(irxn, dx_old);
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#endif
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#ifdef DEBUG_HKM_NOT
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for (int kk = 0; kk < m_numSpeciesTot; kk++) {
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if (feSpecies_tmp[kk] != m_feSpecies_old[kk]) {
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printf("we are here\n");
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}
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if (molNumSpecies_tmp[kk] != m_molNumSpecies_old[kk]) {
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printf("we are here\n");
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}
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}
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#endif
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vcs_setFlagsVolPhases(false, VCS_STATECALC_NEW);
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}
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m_deltaMolNumSpecies[kspec] = dx;
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#endif
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} /* End of Loop on ic[irxn] -> the type of species */
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/***********************************************************************/
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/****** CALCULATE KMOLE NUMBER CHANGE FOR THE COMPONENT BASIS **********/
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/***********************************************************************/
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