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gmx::DensityFittingForceProviderState Struct Reference

#include <gromacs/applied_forces/densityfittingforceprovider.h>

+ Collaboration diagram for gmx::DensityFittingForceProviderState:

Description

Parameters defining the internal density fitting force provider state.

Public Attributes

std::int64_t stepsSinceLastCalculation_ = 0
 The steps since the last force calculation. Used if density fitting is to be calculated every N steps.
 
ExponentialMovingAverageState exponentialMovingAverageState_ = {}
 The state of the exponential moving average of the similarity measure.
 
real adaptiveForceConstantScale_ = 1.0_real
 An additional factor scaling the force for adaptive force scaling.
 

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