Method error

src/equil/MultiPhaseEquil.cpp:626–651

}

double MultiPhaseEquil::error()
{
    double err, maxerr = 0.0;

    // examine every reaction
    for (size_t j = 0; j < nFree(); j++) {
        size_t ik = j + m_nel;

        // don't require formation reactions for solution species
        // present in trace amounts to be equilibrated
        if (!isStoichPhase(ik) && fabs(moles(ik)) <= SmallNumber) {
            err = 0.0;
        }

        // for stoichiometric phase species, no error if not present and
        // delta G for the formation reaction is positive
        if (isStoichPhase(ik) && moles(ik) <= 0.0 &&
                m_deltaG_RT[j] >= 0.0) {
            err = 0.0;
        } else {
            err = fabs(m_deltaG_RT[j]);
        }
        maxerr = std::max(maxerr, err);
    }
    return maxerr;
}

double MultiPhaseEquil::phaseMoles(size_t iph) const
{