builder->add<ForceElement>();
// We have a full state here (positions(t), velocities(t-dt/2), forces(t)
builder->add<StatePropagatorData::Element>();
- if (legacySimulatorData_->inputrec->etc == etcVRESCALE)
+ if (legacySimulatorData_->inputrec->etc == TemperatureCoupling::VRescale)
{
builder->add<VRescaleThermostat>(-1, VRescaleThermostatUseFullStepKE::No);
}
builder->add<ComputeGlobalsElement<ComputeGlobalsAlgorithm::LeapFrog>>();
// We have the energies at time t here
builder->add<EnergyData::Element>();
- if (legacySimulatorData_->inputrec->epc == epcPARRINELLORAHMAN)
+ if (legacySimulatorData_->inputrec->epc == PressureCoupling::ParrinelloRahman)
{
builder->add<ParrinelloRahmanBarostat>(-1);
}