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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).
 
realoldval
 Old values.
 
std::vector< AnalysisDataValuecurrValues_
 The most recently calculated displacements.
 
AnalysisDataBinAverageModulehistm
 Histogram module for calculating MSD histograms, or NULL if not set.
 

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