Reorganizing analysis of correlation functions.

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_tcaf.c

diff --git a/src/gromacs/gmxana/gmx_tcaf.c b/src/gromacs/gmxana/gmx_tcaf.c
index b676ffc6a2deba541021747d1c64ff300852cb59..668073ef659691f694696b28299fc81a6fdf5e8d 100644 (file)
--- a/src/gromacs/gmxana/gmx_tcaf.c
+++ b/src/gromacs/gmxana/gmx_tcaf.c
@@ -41,6 +41,8 @@
 #include <string.h>
 
 #include "gromacs/commandline/pargs.h"
+#include "gromacs/correlationfunctions/autocorr.h"
+#include "gromacs/correlationfunctions/expfit.h"
 #include "gromacs/fileio/confio.h"
 #include "gromacs/fileio/trxio.h"
 #include "gromacs/fileio/xvgr.h"
@@ -59,7 +61,6 @@
 #include "gromacs/utility/futil.h"
 #include "gromacs/utility/smalloc.h"
 
-
 #define NK  24
 #define NPK 4
 
@@ -79,10 +80,10 @@ static void process_tcaf(int nframes, real dt, int nkc, real **tc, rvec *kfac,
 {
     FILE  *fp, *fp_vk, *fp_cub = NULL;
     int    nk, ntc;
-    real **tcaf, **tcafc = NULL, eta;
+    real **tcaf, **tcafc = NULL, eta, *sig;
     int    i, j, k, kc;
     int    ncorr;
-    real   fitparms[3], *sig;
+    double fitparms[3];
 
     nk  = kset_c[nkc];
     ntc = nk*NPK;