Gromacs  2019-beta2
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Files
Correlation functions
+ Collaboration diagram for Correlation functions:

Description

Compute correlation functions and fit analytical functions to the result.

Files

file  autocorr.cpp
 Implements function to compute many autocorrelation functions.
 
file  autocorr.h
 Declares routine for computing autocorrelation functions.
 
file  crosscorr.cpp
 Implements routine for computing a cross correlation between two data sets.
 
file  crosscorr.h
 Declares routine for computing a cross correlation between two data sets.
 
file  expfit.cpp
 Implements routine for fitting a data set to a curve.
 
file  expfit.h
 Declares routine for fitting a data set to a curve.
 
file  gmx_lmcurve.cpp
 Defines a driver routine for lmfit, and a callback for it to use.
 
file  gmx_lmcurve.h
 Declares a driver routine for lmfit.
 
file  integrate.h
 Declares routines for integrating a data set.
 
file  manyautocorrelation.cpp
 Implements function to compute many autocorrelation functions.
 
file  manyautocorrelation.h
 Declares routine for computing many correlation functions using OpenMP.
 
file  polynomials.cpp
 Implements help function to compute Legendre polynomials.
 
file  polynomials.h
 Declares routine for computing a Legendre polynomial.
 
file  autocorr.cpp
 Implements test of autocorrelation function routines.
 
file  correlationdataset.cpp
 Implements helper class for autocorrelation tests.
 
file  correlationdataset.h
 Declares helper class for autocorrelation tests.
 
file  expfit.cpp
 Implements test of exponential fitting routines.
 
file  manyautocorrelation.cpp
 Implements low level test of manyautocorrelation routines.