Method initialize

src/numerics/IdasIntegrator.cpp:232–326

}

void IdasIntegrator::initialize(double t0, FuncEval& func)
{
    m_neq = func.neq();
    m_t0 = t0;
    m_time = t0;
    m_tInteg = t0;
    m_func = &func;
    func.clearErrors();

    if (m_y) {
        N_VDestroy_Serial(m_y); // free solution vector if already allocated
    }
    m_y = newNVector(static_cast<sd_size_t>(m_neq), m_sundials_ctx);
    N_VConst(0.0, m_y);

    if (m_ydot) {
        N_VDestroy_Serial(m_ydot); // free derivative vector if already allocated
    }
    m_ydot = newNVector(m_neq, m_sundials_ctx);
    N_VConst(0.0, m_ydot);

    // check abs tolerance array size
    if (m_itol == IDA_SV && m_nabs < m_neq) {
        throw CanteraError("IdasIntegrator::initialize",
                           "not enough absolute tolerance values specified.");
    }

    if (m_constraints) {
        N_VDestroy_Serial(m_constraints);
    }
    m_constraints = newNVector(static_cast<sd_size_t>(m_neq), m_sundials_ctx);
    // set the constraints
    func.getConstraints(NV_DATA_S(m_constraints));

    // get the initial conditions
    func.getStateDae(NV_DATA_S(m_y), NV_DATA_S(m_ydot));

    if (m_ida_mem) {
        IDAFree(&m_ida_mem);
    }

    //! Create the IDA solver
    #if SUNDIALS_VERSION_MAJOR >= 6
        m_ida_mem = IDACreate(m_sundials_ctx.get());
    #else
        m_ida_mem = IDACreate();
    #endif
    if (!m_ida_mem) {
        throw CanteraError("IdasIntegrator::initialize", "IDACreate failed.");
    }

    int flag = IDAInit(m_ida_mem, ida_rhs, m_t0, m_y, m_ydot);
    if (flag != IDA_SUCCESS) {
        if (flag == IDA_MEM_FAIL) {
            throw CanteraError("IdasIntegrator::initialize",
                               "Memory allocation failed.");
        } else if (flag == IDA_ILL_INPUT) {
            throw CanteraError("IdasIntegrator::initialize",