gmx::AnalysisDataDisplacementModule::Impl Class Reference

Collaboration diagram for gmx::AnalysisDataDisplacementModule::Impl:

Description

Private implementation class for AnalysisDataDisplacementModule.

Public Attributes
int	nmax
	Maximum number of particles for which the displacements are calculated.
real	tmax
	Maximum time for which the displacements are needed.
int	ndim
	Number of dimensions per data point.
bool	bFirst
	true if no frames have been read.
real	t0
	Stores the time of the first frame.
real	dt
	Stores the time interval between frames.
real	t
	Stores the time of the current frame.
int	ci
	Stores the index in the store for the current positions.
int	max_store
	Maximum number of positions to store for a particle.
int	nstored
	The total number of positions ever stored (can be larger than max_store).
real *	oldval
	Old values.
std::vector< AnalysisDataValue >	currValues_
	The most recently calculated displacements.
AnalysisDataBinAverageModule *	histm
	Histogram module for calculating MSD histograms, or NULL if not set.

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

• src/gromacs/analysisdata/modules/displacement.cpp