C++ (Cpp) shared_ptr::AddForceVector示例

Eigen::Vector3d Atom::CalculateElectricalForce(const Eigen::Vector3d& chargePosition, Real charge, shared_ptr<ForceVectors> forceVectorStorage) {
  Eigen::Vector3d forceDirection = chargePosition.array()-m_position.array();
  Real rSquared = forceDirection.squaredNorm();
  
  Real forceMagnitude = K_VACUUM*charge*m_effectiveNuclearCharge*Square(ELECTRIC_CHARGE)/rSquared;
  
  // The force is in the direction of the charge.
  forceDirection.normalize();
  Eigen::Vector3d forceVector = forceDirection.array()*forceMagnitude;
  
  if(forceVectorStorage) {
    forceVectorStorage->AddForceVector(GetName(), forceVector);
  }
  
  // Add in forces due to sp orbitals.
  for(int i=0; i<m_spOrbitals.size(); i++) {
    shared_ptr<SpOrbital> orbital = m_spOrbitals[i];
    Eigen::Vector3d spForce = orbital->CalculateElectricalForce(chargePosition, charge, forceVectorStorage);
    forceVector.array() += spForce.array();
  }
  
  return forceVector;
}