MDStressLab++
calculateStress.cpp File Reference
#include <string>
#include <iostream>
#include <vector>
#include "neighbor_list.h"
#include "InteratomicForces.h"
#include "kim.h"
#include "BoxConfiguration.h"
#include "Configuration.h"
#include "SubConfiguration.h"
#include "Stress.h"
#include "typedef.h"
#include "StressTuple.h"
#include "helper.hpp"
#include <tuple>
#include <chrono>
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Functions

int calculateStress (const BoxConfiguration &body, Kim &kim, std::tuple<> stress)
 
template<typename... BF, StressType stressType>
int calculateStress (const BoxConfiguration &body, Kim &kim, std::tuple< Stress< BF, stressType > &... > stress)
 
template<typename... TStressPiola, typename... TStressCauchy>
int calculateStress (const BoxConfiguration &body, Kim &kim, std::tuple< TStressPiola &... > piolaStress, std::tuple< TStressCauchy &... > cauchyStress)
 
template<typename... TStressPiola, typename... TStressCauchy>
int calculateStress (const Configuration *pconfig, Kim &kim, std::tuple< TStressPiola &... > piolaStress, std::tuple< TStressCauchy &... > cauchyStress)
 
int process_DEDr (const void *dataObject, const double de, const double r, const double *const dx, const int i, const int j)
 

Function Documentation

int calculateStress ( const BoxConfiguration body,
Kim kim,
std::tuple<>  stress 
)

Definition at line 24 of file calculateStress.cpp.

template<typename... BF, StressType stressType>
int calculateStress ( const BoxConfiguration body,
Kim kim,
std::tuple< Stress< BF, stressType > &... >  stress 
)

Definition at line 34 of file calculateStress.cpp.

template<typename... TStressPiola, typename... TStressCauchy>
int calculateStress ( const BoxConfiguration body,
Kim kim,
std::tuple< TStressPiola &... >  piolaStress,
std::tuple< TStressCauchy &... >  cauchyStress 
)

Definition at line 55 of file calculateStress.cpp.

template<typename... TStressPiola, typename... TStressCauchy>
int calculateStress ( const Configuration pconfig,
Kim kim,
std::tuple< TStressPiola &... >  piolaStress,
std::tuple< TStressCauchy &... >  cauchyStress 
)

Definition at line 176 of file calculateStress.cpp.

int process_DEDr ( const void *  dataObject,
const double  de,
const double  r,
const double *const  dx,
const int  i,
const int  j 
)

Definition at line 411 of file calculateStress.cpp.