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[Equil] Fix infinite loop in VCS equilibrium solver

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The threshold being removed here was introduced in r714, which was merged into
trunk in r1115.

Fixes Issue 113.
This commit is contained in:
Ray Speth 2013-08-23 17:43:44 +00:00
parent 4534bbd21b
commit f61cbeafcb
1 changed files with 1 additions and 5 deletions
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6
src/equil/vcs_solve_TP.cpp
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@ -434,8 +434,7 @@ L_MAINLOOP_ALL_SPECIES:
* converged. -> we have run out of iterations!
*/
if (m_VCount->Its > maxit) {
solveFail = -1;
goto L_RETURN_BLOCK;
return -1;
}
/* ********************************************************************** */
@ -2671,9 +2670,6 @@ size_t VCS_SOLVE::vcs_add_all_deleted()
double maxDG = std::min(m_deltaGRxn_new[irxn], 690.0);
double dx = m_tPhaseMoles_old[iph] * exp(- maxDG);
m_molNumSpecies_new[kspec] = dx;
if (m_molNumSpecies_new[kspec] > 2 *VCS_DELETE_MINORSPECIES_CUTOFF) {
m_molNumSpecies_new[kspec] = 2 * VCS_DELETE_MINORSPECIES_CUTOFF;
}
}
}
}