fad_lj_grad.cpp File Reference

#include "Sacado_Random.hpp"
#include "Sacado.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[])
Variables
double	xi [3]
double	xj [3]
double	pa [4]
double	f [3]
double	delr [3]

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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.

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Variable Documentation

double xi[3] [static]

Definition at line 52 of file fad_lj_grad.cpp.

double xj[3] [static]

Definition at line 52 of file fad_lj_grad.cpp.

double pa[4] [static]

Definition at line 52 of file fad_lj_grad.cpp.

double f[3] [static]

Definition at line 52 of file fad_lj_grad.cpp.

double delr[3] [static]

Definition at line 52 of file fad_lj_grad.cpp.

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