|
Simpatico
v1.10
|
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().
1.8.11