Simpatico
v1.10
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Analyzer to calculate average isotropic pressure.
See here for the parameter file format and any other user documentation.
Definition at line 23 of file McStressAutoCorrelation.h.
#include <McStressAutoCorrelation.h>
Public Member Functions | |
McStressAutoCorrelation (McSystem &system) | |
Constructor. More... | |
~McStressAutoCorrelation () | |
Destructor. More... | |
McMd::McStressAutoCorrelation::McStressAutoCorrelation | ( | McSystem & | system | ) |
Constructor.
system | parent McSystem |
Definition at line 17 of file McStressAutoCorrelation.cpp.
McMd::McStressAutoCorrelation::~McStressAutoCorrelation | ( | ) |
Destructor.
Definition at line 24 of file McStressAutoCorrelation.cpp.
References Util::DArray< Data >::allocate(), McMd::McSystem::computeStress(), McMd::McSystem::computeVirialStress(), McMd::System::energyEnsemble(), and Simp::EnergyEnsemble::temperature().