9 #include "MdStressAutoCorr.h" 36 stress.
add(virial, kinetic);
void computeKineticStress(T &stress) const
Compute kinetic stress mvv, arising from velocities.
Compute stress autocorrelation for an isotropic system.
~MdStressAutoCorr()
Destructor.
void computeStress(Tensor &stress)
Compute total stress tensor.
MdSystem & system()
Return reference to parent system.
A Tensor represents a Cartesian tensor.
Tensor & add(const Tensor &t1, const Tensor &t2)
Add tensors t1 and t2.
void computeVirialStress(T &stress) const
Compute total virial stress, from all forces.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
void setClassName(const char *className)
Set class name string.
MdStressAutoCorr(MdSystem &system)
Constructor.
A System for Molecular Dynamics simulation.