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fad_lj_grad.cpp File Reference
#include "Sacado_Random.hpp"
#include "Sacado_No_Kokkos.hpp"
#include "Fad/fad.h"
#include "TinyFadET/tfad.h"
#include "Teuchos_Time.hpp"
#include "Teuchos_CommandLineProcessor.hpp"
Include dependency graph for fad_lj_grad.cpp:

Go to the source code of this file.

Functions

template<typename T >
T vec3_distsq (const T xi[], const double xj[])
 
template<typename T >
T vec3_distsq (const T xi[], const double xj[], T delr[])
 
template<typename T >
void lj (const T xi[], const double xj[], T &energy)
 
void lj_and_grad (const double xi[], const double xj[], double &energy, double f[])
 
template<typename FadType >
double do_time (int nloop)
 
double do_time_analytic (int nloop)
 
int main (int argc, char *argv[])
 

Function Documentation

template<typename T >
T vec3_distsq ( const T  xi[],
const double  xj[] 
)
inline

Definition at line 57 of file fad_lj_grad.cpp.

template<typename T >
T vec3_distsq ( const T  xi[],
const double  xj[],
T  delr[] 
)
inline

Definition at line 66 of file fad_lj_grad.cpp.

template<typename T >
void lj ( const T  xi[],
const double  xj[],
T energy 
)
inline

Definition at line 75 of file fad_lj_grad.cpp.

void lj_and_grad ( const double  xi[],
const double  xj[],
double &  energy,
double  f[] 
)
inline

Definition at line 83 of file fad_lj_grad.cpp.

template<typename FadType >
double do_time ( int  nloop)

Definition at line 97 of file fad_lj_grad.cpp.

double do_time_analytic ( int  nloop)

Definition at line 120 of file fad_lj_grad.cpp.

int main ( int  argc,
char *  argv[] 
)

Definition at line 139 of file fad_lj_grad.cpp.