func_header.c File Reference

#include <stdio.h>
#include <stdlib.h>
#include <glib-2.0/glib.h>
#include <libdotcode/function_parser.h>
#include "config.h"
#include "common.h"

Include dependency graph for func_header.c:

Go to the source code of this file.

Defines
#define	EV_PER_HARTREE   27.2113834
#define	NM_PER_BOHR   0.05291772083
Functions
int	main (int argv, char *argc[])

---

Define Documentation

#define EV_PER_HARTREE   27.2113834

Definition at line 29 of file func_header.c.

Referenced by main().

#define NM_PER_BOHR   0.05291772083

Definition at line 30 of file func_header.c.

Referenced by main().

---

Function Documentation

int main	(	int	argv,
		char *	argc[]
	)

Definition at line 32 of file func_header.c.

References wavefunc_header::dx, wavefunc_header::dy, wavefunc_header::dz, wavefunc_header::endian, wavefunc_header::energy, EV_PER_HARTREE, wavefunc_header::format, wavefunc_header::little_endian, wavefunc_header::Nc, NM_PER_BOHR, wavefunc_header::Nx, wavefunc_header::Ny, wavefunc_header::Nz, read_wavefunction(), wavefunc_header::version, and wavefunc_header::version_string.

                                 {
  g_type_init();
  int i;
  struct wavefunc_header header;
  double *matrix;
  int err;
  int retval;
  if(argv == 1) {
    fprintf(stderr, "Umm, you probably want to pass me a file or space-separated list of files to read.\n");
    exit(1);
  }
  for(i=1; i<argv; i++) {
    printf("file: %s\n", argc[i]);
    retval = read_wavefunction(argc[i], &header, &matrix, &err);
    printf("\tretval=%d err=%d, format=%s, endian=%c le=%d, version_string=%s=%d Nc=%d Nx=%d Ny=%d Nz=%d; dx=%gBohr=%gnm dy=%gBohr=%gnm dz=%gBohr=%gnm energy=%gHartree=%geV\n", retval, err, 
     header.format,
     header.endian,
     header.little_endian,
     header.version_string,
     header.version, 
     header.Nc,
     header.Nx,
     header.Ny,
     header.Nz,
     header.dx,
     header.dx*NM_PER_BOHR,
     header.dy,
     header.dy*NM_PER_BOHR,
     header.dz,
     header.dz*NM_PER_BOHR,
     header.energy,
     header.energy*EV_PER_HARTREE);
  }
  exit(0);
}

Here is the call graph for this function: