cdeam.h

一个很好的分子动力学程序

#ifndef __CDEAM_H
#define __CDEAM_H

/*  STRUCTURE DEFINITIONS  */
typedef struct
{
   double x0,xn,dx;
   int    n;
   double *a;
} eamtype;

void     write_potstate (char *fname);
void     read_potstate  (char *fname);
void     free_eam (void);

#endif