void pairPotentialModel::setLookupTables()
{
    label N = label((rCut_ - rMin_)/dr_) + 1;

    Info << "Number of entries: " << N << endl;

    forceLookup_.setSize(N);
    energyLookup_.setSize(N);

    forAll(forceLookup_, k)
    {
        energyLookup_[k] = scaledEnergy(k*dr_ + rMin_);
        forceLookup_[k] = -energyDerivative((k*dr_ + rMin_), true);
    }
void Foam::pairPotential::setLookupTables(const reducedUnits& rU)
{
    label N = label((rCut_ - rMin_)/dr_) + 1;

    Info << "Number of entries: " << N << endl;

    forceLookup_.setSize(N);
    energyLookup_.setSize(N);

    forAll(forceLookup_, k)
    {
        energyLookup_[k] = scaledEnergy(rU, k*dr_ + rMin_);
        forceLookup_[k] = -energyDerivative(rU, (k*dr_ + rMin_), true);
    }
예제 #3
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void Foam::pairPotential::setLookupTables()
{
    label N = label((rCut_ - rMin_)/dr_) + 1;

    forceLookup_.setSize(N);

    energyLookup_.setSize(N);

    forAll(forceLookup_, k)
    {
        energyLookup_[k] = scaledEnergy(k*dr_ + rMin_);

        forceLookup_[k] = -energyDerivative((k*dr_ + rMin_), true);
    }