Functions
std::string	moduleName ()
	Helper function to make a std::string containing the module name.

Variables
const std::string	c_activeTag = "active"

const std::string	c_groupTag = "group"
	Denote the .mdp option that defines the group of fit atoms. More...

const std::string	c_similarityMeasureTag = "similarity-measure"

const std::string	c_amplitudeMethodTag = "atom-spreading-weight"

const std::string	c_forceConstantTag = "force-constant"

const std::string	c_gaussianTransformSpreadingWidthTag = "gaussian-transform-spreading-width"

const std::string	c_gaussianTransformSpreadingRangeInMultiplesOfWidthTag

const std::string	c_referenceDensityFileNameTag = "reference-density-filename"

const std::string	c_everyNStepsTag = "nst"

const std::string	c_normalizeDensitiesTag = "normalize-densities"

const std::string	c_adaptiveForceScalingTag = "adaptive-force-scaling"

const std::string	c_adaptiveForceScalingTimeConstantTag = "adaptive-force-scaling-time-constant"

const std::string	c_translationTag = "shift-vector"

const std::string	c_transformationMatrixTag = "transformation-matrix"

Variable Documentation

const std::string gmx::anonymous_namespace{densityfittingoptions.cpp}::c_gaussianTransformSpreadingRangeInMultiplesOfWidthTag

Initial value:

=

"gaussian-transform-spreading-range-in-multiples-of-width"

const std::string gmx::anonymous_namespace{densityfittingoptions.cpp}::c_groupTag = "group"

Denote the .mdp option that defines the group of fit atoms.

Functions