gmx::test::anonymous_namespace{splinetable.cpp} Namespace Reference

Classes
class	SplineTableTest
	Test fixture for table comparision with analytical/numerical functions. More...

Typedefs
typedef ::testing::Types < QuadraticSplineTable, CubicSplineTable >	SplineTableTypes
	Typed-test list. We test QuadraticSplineTable and CubicSplineTable.

Functions
double	coulombFunction (double r)
	Function similar to coulomb electrostatics. More...
double	coulombDerivative (double r)
	Derivative (not force) of coulomb electrostatics. More...
double	lj6Function (double r)
	Function similar to power-6 Lennard-Jones dispersion. More...
double	lj6Derivative (double r)
	Derivative (not force) of the power-6 Lennard-Jones dispersion. More...
double	lj12Function (double r)
	Function similar to power-12 Lennard-Jones repulsion. More...
double	lj12Derivative (double r)
	Derivative (not force) of the power-12 Lennard-Jones repulsion. More...
double	sincFunction (double r)
	The sinc function, sin(r)/r. More...
double	sincDerivative (double r)
	Derivative of the sinc function. More...
double	pmeCorrFunction (double r)
	Function for the direct-space PME correction to 1/r. More...
double	pmeCorrDerivative (double r)
	Derivative of the direct-space PME correction to 1/r. More...

Function Documentation

double gmx::test::anonymous_namespace{splinetable.cpp}::coulombDerivative

(

double

r

)

Derivative (not force) of coulomb electrostatics.

Parameters

r

argument

Returns

-r^-2

double gmx::test::anonymous_namespace{splinetable.cpp}::coulombFunction

(

double

r

)

Function similar to coulomb electrostatics.

Parameters

r

argument

Returns

r^-1

double gmx::test::anonymous_namespace{splinetable.cpp}::lj12Derivative

(

double

r

)

Derivative (not force) of the power-12 Lennard-Jones repulsion.

Parameters

r

argument

Returns

-12.0*r^-13

double gmx::test::anonymous_namespace{splinetable.cpp}::lj12Function

(

double

r

)

Function similar to power-12 Lennard-Jones repulsion.

Parameters

r

argument

Returns

r^-12

double gmx::test::anonymous_namespace{splinetable.cpp}::lj6Derivative

(

double

r

)

Derivative (not force) of the power-6 Lennard-Jones dispersion.

Parameters

r

argument

Returns

-6.0*r^-7

double gmx::test::anonymous_namespace{splinetable.cpp}::lj6Function

(

double

r

)

Function similar to power-6 Lennard-Jones dispersion.

Parameters

r

argument

Returns

r^-6

double gmx::test::anonymous_namespace{splinetable.cpp}::pmeCorrDerivative

(

double

r

)

Derivative of the direct-space PME correction to 1/r.

Parameters

r

argument

Returns

Derivative of the PME correction function.

double gmx::test::anonymous_namespace{splinetable.cpp}::pmeCorrFunction

(

double

r

)

Function for the direct-space PME correction to 1/r.

Parameters

r

argument

Returns

PME correction function, erf(r)/r

double gmx::test::anonymous_namespace{splinetable.cpp}::sincDerivative

(

double

r

)

Derivative of the sinc function.

Parameters

r

argument

Returns

derivative of sinc, (r*cos(r)-sin(r))/r^2

double gmx::test::anonymous_namespace{splinetable.cpp}::sincFunction

(

double

r

)

The sinc function, sin(r)/r.

Parameters

r

argument

Returns

sin(r)/r