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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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64
c_tools/hod/amoeba.c Normal file
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#include <math.h>
#define NRANSI
#include "nrutil.h"
#define NMAX 5000
#define GET_PSUM \
for (j=1;j<=ndim;j++) {\
for (sum=0.0,i=1;i<=mpts;i++) sum += p[i][j];\
psum[j]=sum;}
#define SWAP(a,b) {swap=(a);(a)=(b);(b)=swap;}
void amoeba(double **p, double y[], int ndim, double ftol,
double (*funk)(double []), int *nfunk)
{
double amotry(double **p, double y[], double psum[], int ndim,
double (*funk)(double []), int ihi, double fac);
int i,ihi,ilo,inhi,j,mpts=ndim+1;
double rtol,sum,swap,ysave,ytry,*psum;
psum=dvector(1,ndim);
*nfunk=0;
GET_PSUM
for (;;) {
ilo=1;
ihi = y[1]>y[2] ? (inhi=2,1) : (inhi=1,2);
for (i=1;i<=mpts;i++) {
if (y[i] <= y[ilo]) ilo=i;
if (y[i] > y[ihi]) {
inhi=ihi;
ihi=i;
} else if (y[i] > y[inhi] && i != ihi) inhi=i;
}
rtol=2.0*fabs(y[ihi]-y[ilo])/(fabs(y[ihi])+fabs(y[ilo]));
if (rtol < ftol) {
SWAP(y[1],y[ilo])
for (i=1;i<=ndim;i++) SWAP(p[1][i],p[ilo][i])
break;
}
if (*nfunk >= NMAX) nrerror("NMAX exceeded");
*nfunk += 2;
ytry=amotry(p,y,psum,ndim,funk,ihi,-1.0);
if (ytry <= y[ilo])
ytry=amotry(p,y,psum,ndim,funk,ihi,2.0);
else if (ytry >= y[inhi]) {
ysave=y[ihi];
ytry=amotry(p,y,psum,ndim,funk,ihi,0.5);
if (ytry >= ysave) {
for (i=1;i<=mpts;i++) {
if (i != ilo) {
for (j=1;j<=ndim;j++)
p[i][j]=psum[j]=0.5*(p[i][j]+p[ilo][j]);
y[i]=(*funk)(psum);
}
}
*nfunk += ndim;
GET_PSUM
}
} else --(*nfunk);
}
free_dvector(psum,1,ndim);
}
#undef SWAP
#undef GET_PSUM
#undef NMAX
#undef NRANSI