densityfit.h File Reference

#include <memory>
#include "gromacs/mdspan/extensions.h"
#include "gromacs/utility/real.h"

Include dependency graph for densityfit.h:

Description

Declares density similarity measures and their derivatives.

Author

Christian Blau blau@.nosp@m.kth..nosp@m.se

Classes
class	gmx::DensitySimilarityMeasure
	Measure similarity and gradient between densities. More...

Enumerations
enum	gmx::DensitySimilarityMeasureMethod : int { gmx::DensitySimilarityMeasureMethod::innerProduct, gmx::DensitySimilarityMeasureMethod::relativeEntropy, gmx::DensitySimilarityMeasureMethod::crossCorrelation, Count }
	The methods that determine how two densities are compared to one another. More...