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); }
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); }