ABACUS/src/MATRIX/gaussj.cc

56 lines
1.3 KiB
C++

#include "ABACUS.h"
using namespace std;
void ABACUS::gaussj (SQMat_DP& a, SQMat_DP& b)
{
int i, j, k, l, ll;
int icol = 0;
int irow = 0;
DP big, dum, pivinv;
int n = a.size();
int m = b.size();
Vect_INT indxc(n), indxr(n), ipiv(n);
for (j = 0; j < n; j++) ipiv[j] = 0;
for (i = 0; i < n; i++) {
big = 0.0;
for (j = 0; j < n; j++)
if (ipiv[j] != 1)
for (k = 0; k < n; k++) {
if (ipiv[k] == 0) {
if (fabs(a[j][k]) >= big) {
big = fabs(a[j][k]);
irow = j;
icol = k;
}
}
}
++(ipiv[icol]);
if (irow != icol) {
for (l = 0; l < n; l++) SWAP (a[irow][l], a[icol][l]);
for (l = 0; l < m; l++) SWAP (b[irow][l], b[icol][l]);
}
indxr[i] = irow;
indxc[i] = icol;
if (a[icol][icol] == 0.0) ABACUSerror("gaussj: singular matrix");
pivinv = 1.0/a[icol][icol];
a[icol][icol] = 1.0;
for (l = 0; l < n; l++) a[icol][l] *= pivinv;
for (l = 0; l < m; l++) b[icol][l] *= pivinv;
for (ll = 0; ll < n; ll++)
if (ll != icol) {
dum = a[ll][icol];
a[ll][icol] = 0.0;
for (l = 0; l < n; l++) a[ll][l] -= a[icol][l] * dum;
for (l = 0; l < m; l++) b[ll][l] -= b[icol][l] * dum;
}
}
for (l = n - 1; l >= 0; l--) {
if (indxr[l] != indxc[l])
for (k = 0; k < n; k++)
SWAP (a[k][indxr[l]], a[k][indxc[l]]);
}
}