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gmx_lmcurve.h File Reference
#include "gromacs/correlationfunctions/expfit.h"
+ Include dependency graph for gmx_lmcurve.h:


Declares a driver routine for lmfit.

David van der Spoel


typedef double(* t_lmcurve )(double x, const double *a)
 function type for passing to fitting routine


bool lmfit_exp (int nfit, const double x[], const double y[], const double dy[], double parm[], bool bVerbose, int eFitFn, int nfix)
 lmfit_exp supports fitting of different functions More...


t_lmcurve lmcurves [effnNR+1]
 array of fitting functions corresponding to the pre-defined types

Function Documentation

bool lmfit_exp ( int  nfit,
const double  x[],
const double  y[],
const double  dy[],
double  parm[],
bool  bVerbose,
int  eFitFn,
int  nfix 

lmfit_exp supports fitting of different functions

This routine calls the Levenberg-Marquardt non-linear fitting routine for fitting a data set with errors to a target function. Fitting routines included in gromacs in src/external/lmfit.