Gromacs
2024.4
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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. | |