#endif
#include <stdio.h>
#include "types/simple.h"
+#include "gmx_fatal.h"
/*Make range-array (Permutation identity) for sorting */
void rangeArray(int *ar,int size)
return min-1;
}/*end -ifelse direction*/
+ return -1;
}
ax1=0,ax2=0, /* tangent directions */
framenr=0, /* frame number in trajectory*/
slicex, slicey, slicez; /*slice # of x y z position */
- real ***Densslice; /* Density-slice in one frame*/
+ real ***Densslice=NULL; /* Density-slice in one frame*/
real dscale; /*physical scaling factor*/
real t,x,y,z; /* time and coordinates*/
rvec bbww;
int eMeth;
char **graphfiles, **rawfiles, **spectra; /* Filenames for xpm-surface maps, rawdata and powerspectra */
- int nfxpm,nfraw, nfspect; /* # files for interface maps and spectra = # interfaces */
+ int nfxpm=-1,nfraw, nfspect; /* # files for interface maps and spectra = # interfaces */
t_pargs pa[] = {
{ "-1d", FALSE, etBOOL, {&b1d},
rvec *xtop,*x;
matrix box;
real sg,sk, sgintf, pos;
- atom_id **index;
- char **grpname;
+ atom_id **index=NULL;
+ char **grpname=NULL;
int i,j,k,n,*isize,ng, nslicez, framenr;
- real ***sg_grid,***sk_grid, ***sg_fravg, ***sk_fravg, ****sk_4d, ****sg_4d;
+ real ***sg_grid=NULL,***sk_grid=NULL, ***sg_fravg=NULL, ***sk_fravg=NULL, ****sk_4d=NULL, ****sg_4d=NULL;
int *perm;
int ndx1, ndx2;
int bins;