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anonymous_namespace{edsam.cpp}::t_eigvec Struct Reference

Description

Essential dynamics vector. TODO: split into working data and input data NOTE: called eigvec, because traditionally eigenvectors from PCA analysis were used as essential dynamics vectors, however, vectors used for ED need not have any special properties.

Public Attributes

int neig = 0
 nr of eigenvectors
 
int * ieig = nullptr
 index nrs of eigenvectors
 
realstpsz = nullptr
 stepsizes (per eigenvector)
 
rvec ** vec = nullptr
 eigenvector components
 
realxproj = nullptr
 instantaneous x projections
 
realfproj = nullptr
 instantaneous f projections
 
real radius = 0.
 instantaneous radius
 
realrefproj = nullptr
 starting or target projections
 

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