ilasrt2.c

最著名最快的分子模拟软件

#include "gmx_lapack.h"

void 
F77_FUNC(ilasrt2,ILASRT2)(char *id, 
	 int *n, 
	 int *d__, 
	 int *key, 
	 int *info)
{
    int i__1, i__2;
    int i__, j, d1, d2, d3, dir, tmp, endd;
    int stack[64], dmnmx, start;
    int tmpkey, stkpnt;

    --key;
    --d__;

    *info = 0;
    dir = -1;
    if (*id=='D' || *id=='d') 
	dir = 0;
    else if (*id=='I' || *id=='i') 
	dir = 1;
    
    if (dir == -1) {
	*info = -1;
    } else if (*n < 0) {
	*info = -2;
    }
    if (*info != 0) {
	return;
    }

    if (*n <= 1) {
	return;
    }

    stkpnt = 1;
    stack[0] = 1;
    stack[1] = *n;
L10:
    start = stack[(stkpnt << 1) - 2];
    endd = stack[(stkpnt << 1) - 1];
    --stkpnt;
    if (endd - start > 0) {

	if (dir == 0) {

	    i__1 = endd;
	    for (i__ = start + 1; i__ <= i__1; ++i__) {
		i__2 = start + 1;
		for (j = i__; j >= i__2; --j) {
		    if (d__[j] > d__[j - 1]) {
			dmnmx = d__[j];
			d__[j] = d__[j - 1];
			d__[j - 1] = dmnmx;
			tmpkey = key[j];
			key[j] = key[j - 1];
			key[j - 1] = tmpkey;
		    } else {
			goto L30;
		    }
		}
L30:
		;
	    }

	} else {

	    i__1 = endd;
	    for (i__ = start + 1; i__ <= i__1; ++i__) {
		i__2 = start + 1;
		for (j = i__; j >= i__2; --j) {
		    if (d__[j] < d__[j - 1]) {
			dmnmx = d__[j];
			d__[j] = d__[j - 1];
			d__[j - 1] = dmnmx;
			tmpkey = key[j];
			key[j] = key[j - 1];
			key[j - 1] = tmpkey;
		    } else {
			goto L50;
		    }
		}
L50:
		;
	    }

	}

    } else if (endd - start > 20) {

	d1 = d__[start];
	d2 = d__[endd];
	i__ = (start + endd) / 2;
	d3 = d__[i__];
	if (d1 < d2) {
	    if (d3 < d1) {
		dmnmx = d1;
	    } else if (d3 < d2) {
		dmnmx = d3;
	    } else {
		dmnmx = d2;
	    }
	} else {
	    if (d3 < d2) {
		dmnmx = d2;
	    } else if (d3 < d1) {
		dmnmx = d3;
	    } else {
		dmnmx = d1;
	    }
	}

	if (dir == 0) {

	    i__ = start - 1;
	    j = endd + 1;
L60:
L70:
	    --j;
	    if (d__[j] < dmnmx) {
		goto L70;
	    }
L80:
	    ++i__;
	    if (d__[i__] > dmnmx) {
		goto L80;
	    }
	    if (i__ < j) {
		tmp = d__[i__];
		d__[i__] = d__[j];
		d__[j] = tmp;
		tmpkey = key[j];
		key[j] = key[i__];
		key[i__] = tmpkey;
		goto L60;
	    }
	    if (j - start > endd - j - 1) {
		++stkpnt;
		stack[(stkpnt << 1) - 2] = start;
		stack[(stkpnt << 1) - 1] = j;
		++stkpnt;
		stack[(stkpnt << 1) - 2] = j + 1;
		stack[(stkpnt << 1) - 1] = endd;
	    } else {
		++stkpnt;
		stack[(stkpnt << 1) - 2] = j + 1;
		stack[(stkpnt << 1) - 1] = endd;
		++stkpnt;
		stack[(stkpnt << 1) - 2] = start;
		stack[(stkpnt << 1) - 1] = j;
	    }
	} else {

	    i__ = start - 1;
	    j = endd + 1;
L90:
L100:
	    --j;
	    if (d__[j] > dmnmx) {
		goto L100;
	    }
L110:
	    ++i__;
	    if (d__[i__] < dmnmx) {
		goto L110;
	    }
	    if (i__ < j) {
		tmp = d__[i__];
		d__[i__] = d__[j];
		d__[j] = tmp;
		tmpkey = key[j];
		key[j] = key[i__];
		key[i__] = tmpkey;
		goto L90;
	    }
	    if (j - start > endd - j - 1) {
		++stkpnt;
		stack[(stkpnt << 1) - 2] = start;
		stack[(stkpnt << 1) - 1] = j;
		++stkpnt;
		stack[(stkpnt << 1) - 2] = j + 1;
		stack[(stkpnt << 1) - 1] = endd;
	    } else {
		++stkpnt;
		stack[(stkpnt << 1) - 2] = j + 1;
		stack[(stkpnt << 1) - 1] = endd;
		++stkpnt;
		stack[(stkpnt << 1) - 2] = start;
		stack[(stkpnt << 1) - 1] = j;
	    }
	}
    }
    if (stkpnt > 0) {
	goto L10;
    }


    return;
}