2 #include "../gmx_lapack.h"
3 #include "lapack_limits.h"
5 #include "gromacs/utility/real.h"
8 F77_FUNC(sstebz,SSTEBZ)(const char *range,
28 float d__1, d__2, d__3, d__4, d__5;
34 int j, ib, jb, ie, je, nb;
44 int iend, ioff, iout, itmp1, jdisc;
50 float wkill, rtoli, tnorm;
58 const float safemn = GMX_FLOAT_MIN*(1.0+GMX_FLOAT_EPS);
70 if (*range=='A' || *range=='a') {
72 } else if (*range=='V' || *range=='v') {
74 } else if (*range=='I' || *range=='i') {
80 if (*order=='B' || *order=='b') {
82 } else if (*order=='E' || *order=='e') {
90 } else if (iorder <= 0) {
94 } else if (irange == 2) {
98 } else if (irange == 3 && (*il < 1 || *il > (*n))) {
100 } else if (irange == 3 && (*iu < ((*n<*il) ? *n : *il) || *iu > *n)) {
118 if (irange == 3 && *il == 1 && *iu == *n) {
122 ulp = 2*GMX_FLOAT_EPS;
124 nb = DSTEBZ_BLOCKSIZE;
132 if (irange == 2 && (*vl >= d__[1] || *vu < d__[1])) {
146 for (j = 2; j <= i__1; ++j) {
150 if (fabs(d__[j] * d__[j - 1]) * (d__2 * d__2) + safemn
152 isplit[*nsplit] = j - 1;
157 pivmin = (pivmin>tmp1) ? pivmin : tmp1;
160 isplit[*nsplit] = *n;
170 for (j = 1; j <= i__1; ++j) {
171 tmp2 = sqrt(work[j]);
172 d__1 = gu, d__2 = d__[j] + tmp1 + tmp2;
173 gu = (d__1>d__2) ? d__1 : d__2;
174 d__1 = gl, d__2 = d__[j] - tmp1 - tmp2;
175 gl = (d__1<d__2) ? d__1 : d__2;
179 d__1 = gu, d__2 = d__[*n] + tmp1;
180 gu = (d__1>d__2) ? d__1 : d__2;
181 d__1 = gl, d__2 = d__[*n] - tmp1;
182 gl = (d__1<d__2) ? d__1 : d__2;
185 tnorm = (d__1>d__2) ? d__1 : d__2;
186 gl = gl - tnorm * 2. * ulp * *n - pivmin * 4.;
187 gu = gu + tnorm * 2. * ulp * *n + pivmin * 2.;
189 itmax = (int) ((log(tnorm + pivmin) - log(pivmin)) / log(2.)) + 2;
209 F77_FUNC(slaebz,SLAEBZ)(&c__3, &itmax, n, &c__2, &c__2, &nb, &atoli, &rtoli, &pivmin,
210 &d__[1], &e[1], &work[1], &iwork[5], &work[*n + 1], &work[*n
211 + 5], &iout, &iwork[1], &w[1], &iblock[1], &iinfo);
213 if (iwork[6] == *iu) {
229 if (nwl < 0 || nwl >= *n || nwu < 1 || nwu > *n) {
236 /* avoid warnings for high gcc optimization */
239 d__3 = fabs(d__[1]) + fabs(e[1]);
240 d__4 = fabs(d__[*n]) + fabs(e[*n - 1]);
241 tnorm = (d__3>d__4) ? d__3 : d__4;
244 for (j = 2; j <= i__1; ++j) {
246 d__5 = fabs(d__[j]) + fabs(e[j - 1]) + fabs(e[j]);
247 tnorm = (d__4>d__5) ? d__4 : d__5;
272 for (jb = 1; jb <= i__1; ++jb) {
280 if (irange == 1 || wl >= d__[ibegin] - pivmin) {
283 if (irange == 1 || wu >= d__[ibegin] - pivmin) {
286 if (irange == 1 || ((wl < d__[ibegin] - pivmin) && (wu >= d__[ibegin] - pivmin))) {
298 for (j = ibegin; j <= i__2; ++j) {
300 d__1 = gu, d__2 = d__[j] + tmp1 + tmp2;
301 gu = (d__1>d__2) ? d__1 : d__2;
302 d__1 = gl, d__2 = d__[j] - tmp1 - tmp2;
303 gl = (d__1<d__2) ? d__1 : d__2;
307 d__1 = gu, d__2 = d__[iend] + tmp1;
308 gu = (d__1>d__2) ? d__1 : d__2;
309 d__1 = gl, d__2 = d__[iend] - tmp1;
310 gl = (d__1<d__2) ? d__1 : d__2;
313 bnorm = (d__1>d__2) ? d__1 : d__2;
314 gl = gl - bnorm * 2. * ulp * in - pivmin * 2.;
315 gu = gu + bnorm * 2. * ulp * in + pivmin * 2.;
320 atoli = ulp * ((d__1>d__2) ? d__1 : d__2);
330 gl = (gl>wl) ? gl : wl;
331 gu = (gu<wu) ? gu : wu;
338 work[*n + in + 1] = gu;
339 F77_FUNC(slaebz,SLAEBZ)(&c__1, &c__0, &in, &in, &c__1, &nb, &atoli, &rtoli, &
340 pivmin, &d__[ibegin], &e[ibegin], &work[ibegin], idumma, &
341 work[*n + 1], &work[*n + (in << 1) + 1], &im, &iwork[1], &
342 w[*m + 1], &iblock[*m + 1], &iinfo);
345 nwu += iwork[in + 1];
346 iwoff = *m - iwork[1];
348 itmax = (int) ((log(gu - gl + pivmin) - log(pivmin)) / log(2.)
350 F77_FUNC(slaebz,SLAEBZ)(&c__2, &itmax, &in, &in, &c__1, &nb, &atoli, &rtoli, &
351 pivmin, &d__[ibegin], &e[ibegin], &work[ibegin], idumma, &
352 work[*n + 1], &work[*n + (in << 1) + 1], &iout, &iwork[1],
353 &w[*m + 1], &iblock[*m + 1], &iinfo);
356 for (j = 1; j <= i__2; ++j) {
357 tmp1 = (work[j + *n] + work[j + in + *n]) * .5;
359 if (j > iout - iinfo) {
365 i__3 = iwork[j + in] + iwoff;
366 for (je = iwork[j] + 1 + iwoff; je <= i__3; ++je) {
378 idiscl = *il - 1 - nwl;
381 if (idiscl > 0 || idiscu > 0) {
383 for (je = 1; je <= i__1; ++je) {
384 if (w[je] <= wlu && idiscl > 0) {
386 } else if (w[je] >= wul && idiscu > 0) {
391 iblock[im] = iblock[je];
396 if (idiscl > 0 || idiscu > 0) {
401 for (jdisc = 1; jdisc <= i__1; ++jdisc) {
404 for (je = 1; je <= i__2; ++je) {
405 if (iblock[je] != 0 && (w[je] < wkill || iw == 0)) {
417 for (jdisc = 1; jdisc <= i__1; ++jdisc) {
420 for (je = 1; je <= i__2; ++je) {
421 if (iblock[je] != 0 && (w[je] > wkill || iw == 0)) {
431 for (je = 1; je <= i__1; ++je) {
432 if (iblock[je] != 0) {
435 iblock[im] = iblock[je];
440 if (idiscl < 0 || idiscu < 0) {
445 if (iorder == 1 && *nsplit > 1) {
447 for (je = 1; je <= i__1; ++je) {
451 for (j = je + 1; j <= i__2; ++j) {
461 iblock[ie] = iblock[je];