dimparams.h File Reference

#include <variant>
#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"

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Description

Declares the DimParams struct and AWH vector types.

This class holds the physical information for a dimension of the bias reaction-coordinate grid.

Author

Viveca Lindahl

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
struct	gmx::DimParams
	Constant parameters for each dimension of the coordinate. More...
struct	gmx::DimParams::PullDimParams
	Type for storing dimension parameters for pull type dimensions. More...
struct	gmx::DimParams::FepDimParams
	Type for storing dimension parameters for free-energy lambda type dimensions. More...

Typedefs
typedef double	gmx::awh_dvec [c_biasMaxNumDim]
	A real vector in AWH coordinate space.
typedef int	gmx::awh_ivec [c_biasMaxNumDim]
	An integer vector in AWH coordinate space.

Variables
static const int	gmx::c_biasMaxNumDim = 4
	The maximum dimensionality of the AWH coordinate.