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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
rargument
Returns
-r^-2
double gmx::test::anonymous_namespace{splinetable.cpp}::coulombFunction ( double  r)

Function similar to coulomb electrostatics.

Parameters
rargument
Returns
r^-1
double gmx::test::anonymous_namespace{splinetable.cpp}::lj12Derivative ( double  r)

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

Parameters
rargument
Returns
-12.0*r^-13
double gmx::test::anonymous_namespace{splinetable.cpp}::lj12Function ( double  r)

Function similar to power-12 Lennard-Jones repulsion.

Parameters
rargument
Returns
r^-12
double gmx::test::anonymous_namespace{splinetable.cpp}::lj6Derivative ( double  r)

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

Parameters
rargument
Returns
-6.0*r^-7
double gmx::test::anonymous_namespace{splinetable.cpp}::lj6Function ( double  r)

Function similar to power-6 Lennard-Jones dispersion.

Parameters
rargument
Returns
r^-6
double gmx::test::anonymous_namespace{splinetable.cpp}::pmeCorrDerivative ( double  r)

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

Parameters
rargument
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
rargument
Returns
PME correction function, erf(r)/r
double gmx::test::anonymous_namespace{splinetable.cpp}::sincDerivative ( double  r)

Derivative of the sinc function.

Parameters
rargument
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
rargument
Returns
sin(r)/r