Gromacs  2022.1
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Classes | Enumerations
densityfit.h File Reference
#include <memory>
#include "gromacs/mdspan/extensions.h"
#include "gromacs/utility/real.h"
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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...