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beginning to fold in HOD code with jeremy tinker's approval

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P.M. Sutter 2013-12-30 22:48:07 -06:00
parent d8108d3a8e
commit 44cd0eb71f
95 changed files with 21950 additions and 0 deletions
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58
c_tools/hod/powell.c Normal file
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#include <math.h>
#define NRANSI
#include "nrutil.h"
#define ITMAX 200
void powell(double p[], double **xi, int n, double ftol, int *iter, double *fret,
double (*func)(double []))
{
void linmin(double p[], double xi[], int n, double *fret,
double (*func)(double []));
int i,ibig,j;
double del,fp,fptt,t,*pt,*ptt,*xit;
pt=dvector(1,n);
ptt=dvector(1,n);
xit=dvector(1,n);
*fret=(*func)(p);
for (j=1;j<=n;j++) pt[j]=p[j];
for (*iter=1;;++(*iter)) {
fp=(*fret);
ibig=0;
del=0.0;
for (i=1;i<=n;i++) {
for (j=1;j<=n;j++) xit[j]=xi[j][i];
fptt=(*fret);
linmin(p,xit,n,fret,func);
if (fabs(fptt-(*fret)) > del) {
del=fabs(fptt-(*fret));
ibig=i;
}
}
if (2.0*fabs(fp-(*fret)) <= ftol*(fabs(fp)+fabs(*fret))) {
free_dvector(xit,1,n);
free_dvector(ptt,1,n);
free_dvector(pt,1,n);
return;
}
if (*iter == ITMAX) nrerror("powell exceeding maximum iterations.");
for (j=1;j<=n;j++) {
ptt[j]=2.0*p[j]-pt[j];
xit[j]=p[j]-pt[j];
pt[j]=p[j];
}
fptt=(*func)(ptt);
if (fptt < fp) {
t=2.0*(fp-2.0*(*fret)+fptt)*SQR(fp-(*fret)-del)-del*SQR(fp-fptt);
if (t < 0.0) {
linmin(p,xit,n,fret,func);
for (j=1;j<=n;j++) {
xi[j][ibig]=xi[j][n];
xi[j][n]=xit[j];
}
}
}
}
}
#undef ITMAX
#undef NRANSI