``rk4debug.c''

 

#include <stdio.h>
#include <math.h>
#include "p480.h"
#include "nrutil.h"

/* Place derivs_int() here ... */


#define Nmx 200000
main()
{
  /* Grid vectors */
  double *r,*dr,*f;

  /* Working variables */
  int i,N;
  double u;
  double *y,*dydx; /* NR vector for diff eq's */
  double x,h;
  int k,dk;

  /* Value of pi */
  double pi;
  pi=4.*atan(1.);

  /* Allocate NR vectors for maximum size used */
  r=dvector(0,Nmx);
  dr=dvector(0,Nmx);
  f=dvector(0,Nmx);
  y=dvector(1,1);
  dydx=dvector(1,1);

  /* Loop over different integration mesh sizes */
  for (N=2; N<=Nmx; N*=10) {

    /* Construct change of variables information and
       integrand function for computing V_el-nuc */
    for (i=0; i<=N; i++) {
      u=((double) i)/((double) N);
      r[i]=1./(1.-u)-1.;
      dr[i]=1./(1.-u)/(1.-u);
      f[i]=(-1/r[i])*(exp(-2*r[i])/pi)*4.*pi*r[i]*r[i];
    }
    /* Special conditions for handling end-points of integration */
    dr[0]=f[0]=0.;
    dr[N]=f[N]=0.;


    /* Runga-Kutta solution using rk4p480(). */
    /* Note step size (h,dk) is 2 because RK algorithm produces
       results only at the end points. */
    h=2./N;
    dk=2;
    y[1]=0.;
    for (k=0; k<=N-2; k+=dk) {
      x=k*h;
      derivs_int(x,y,dydx,k,f,r,dr,N);
      rk4p480(y,dydx,1,x,h,y,derivs_int,k,dk,f,r,dr,N);
    }

    printf("T,S,RK: %6d %18.14f,%18.14f,%18.14f\n",N,trapint(f,r,dr,N),simpint(f,r,dr,N),y[1]);
  }  

  /* Deallocate NR vectors: Should always clean up space at the end. */
  free_dvector(r,0,Nmx);
  free_dvector(dr,0,Nmx);
  free_dvector(f,0,Nmx);
  free_dvector(y,1,1);
  free_dvector(dydx,1,1);
}