47#include "types/FluctuatingChargeAdapter.hpp"
54 if (at->isFluctuatingCharge()) {
56 chargeMass_ = fca.getChargeMass();
58 chargeMass_ = std::numeric_limits<RealType>::infinity();
65 std::vector<RealType> grad(3, 0.0);
virtual void accept(BaseVisitor *v)
virtual std::vector< RealType > getGrad()
Returns the gradient of this stuntdouble.
virtual Mat3x3d getI()
Returns the inertia tensor of this stuntdouble.
AtomType is what OpenMD looks to for unchanging data about an atom.
The Snapshot class is a repository storing dynamic data during a Simulation.
static SquareMatrix< Real, Dim > identity()
Returns an identity matrix.
"Don't move, or you're dead! Stand up! Captain, we've got them!"
RealType getMass()
Returns the mass of this stuntDouble.
Vector3d getFrc()
Returns the current force of this stuntDouble.
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.