fad_lj_grad.cpp File Reference

#include "Sacado_Random.hpp"
#include "Sacado.hpp"
#include "Sacado_CacheFad_DFad.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>
vec3_distsq (const T xi[], const double xj[])
template<typename 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[])

Variables

double xi [3]
double xj [3]
double pa [4]
double f [3]
double delr [3]


Function Documentation

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

Definition at line 58 of file fad_lj_grad.cpp.

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

Definition at line 67 of file fad_lj_grad.cpp.

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

Definition at line 76 of file fad_lj_grad.cpp.

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

Definition at line 84 of file fad_lj_grad.cpp.

template<typename FadType>
double do_time ( int  nloop  ) 

Definition at line 98 of file fad_lj_grad.cpp.

double do_time_analytic ( int  nloop  ) 

Definition at line 121 of file fad_lj_grad.cpp.

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

Definition at line 140 of file fad_lj_grad.cpp.


Variable Documentation

double xi[3] [static]

Definition at line 53 of file fad_lj_grad.cpp.

double xj[3] [static]

Definition at line 53 of file fad_lj_grad.cpp.

double pa[4] [static]

Definition at line 53 of file fad_lj_grad.cpp.

double f[3] [static]

Definition at line 53 of file fad_lj_grad.cpp.

double delr[3] [static]

Definition at line 53 of file fad_lj_grad.cpp.


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