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:

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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 54 of file fad_lj_grad.cpp.

template<typename T >

T vec3_distsq ( const T  xi[], const double  xj[], T  delr[]  )

inline

Definition at line 63 of file fad_lj_grad.cpp.

template<typename T >

void lj ( const T  xi[], const double  xj[], T &  energy  )

inline

Definition at line 72 of file fad_lj_grad.cpp.

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

inline

Definition at line 80 of file fad_lj_grad.cpp.

template<typename FadType >

double do_time

(

int

nloop

)

Definition at line 94 of file fad_lj_grad.cpp.

double do_time_analytic

(

int

nloop

)

Definition at line 117 of file fad_lj_grad.cpp.

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

Definition at line 136 of file fad_lj_grad.cpp.