Esempi in C++ (Cpp) per evalSRwithForces

Esempio n. 1

File: CoulombPBCABTemp.cpp Progetto: digideskio/qmcpack

CoulombPBCABTemp::Return_t
CoulombPBCABTemp::evaluate(ParticleSet& P)
{
  if (ComputeForces)
  {
    forces = 0.0;
    Value = evalLRwithForces(P) + evalSRwithForces(P) +myConst;
  }
  else
    Value = evalLR(P) + evalSR(P) +myConst;
  return Value;
}

Esempio n. 2

File: CoulombPBCAB.cpp Progetto: jyamu/qmc

CoulombPBCAB::Return_t
CoulombPBCAB::evaluate(ParticleSet& P)
{
  if (ComputeForces)
  {
    forces = 0.0;
    Value = evalLRwithForces(P) + evalSRwithForces(P) +myConst;
  }
  else
    if(tracing_particle_quantities)
      Value = spevaluate(P);
    else
      Value = evalLR(P) + evalSR(P) +myConst;
  return Value;
}