#include <gromacs/awh/dimparams.h>

Description

Constant parameters for each dimension of the coordinate.

Public Member Functions
	DimParams (double conversionFactor, double forceConstant, double beta)
	Constructor. More...

double	scaleInternalToUserInput (double value) const
	Convert internal coordinate units to external, user coordinate units. More...

double	scaleUserInputToInternal (double value) const
	Convert external, user coordinate units to internal coordinate units. More...

Public Attributes
const double	k
	Force constant (kJ/mol/nm^2) for each coordinate dimension. More...

const double	betak
	Inverse variance (1/nm^2) for each coordinate dimension. More...

const double	userCoordUnitsToInternal
	Conversion factor coordinate units. More...

Constructor & Destructor Documentation

inline

Constructor.

Parameters

[in]	conversionFactor	Conversion factor from user coordinate units to bias internal units (=DEG2RAD for angles).
[in]	forceConstant	The harmonic force constant.
[in]	beta	1/(k_B T).

double gmx::DimParams::scaleInternalToUserInput ( double value ) const

inline

Convert internal coordinate units to external, user coordinate units.

Parameters

[in] value Value to convert.

double gmx::DimParams::scaleUserInputToInternal ( double value ) const

inline

Convert external, user coordinate units to internal coordinate units.

Parameters

[in] value Value to convert.

const double gmx::DimParams::betak

Inverse variance (1/nm^2) for each coordinate dimension.

const double gmx::DimParams::k

Force constant (kJ/mol/nm^2) for each coordinate dimension.

const double gmx::DimParams::userCoordUnitsToInternal

Conversion factor coordinate units.

The documentation for this struct was generated from the following file: