1 #ifndef MCMD_MD_STRESS_AUTOCORR_H 2 #define MCMD_MD_STRESS_AUTOCORR_H 11 #include <mcMd/analyzers/system/StressAutoCorr.h> 12 #include <mcMd/mdSimulation/MdSystem.h> 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.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
MdStressAutoCorr(MdSystem &system)
Constructor.
A System for Molecular Dynamics simulation.
Analyzer to calculate average isotropic pressure.