104 e12 =
sexp(ex[0]*tf);
105 e23 =
sexp(ex[1]*tf);
106 e34 =
sexp(ex[2]*tf);
107 e45 =
sexp(ex[3]*tf);
129 c12 = c21*g[1]/g[0]*e12;
132 c13 = c31*g[2]/g[0]*e13;
135 c14 = c41*g[3]/g[0]*e14;
138 c15 = c51*g[4]/g[0]*e15;
141 c23 = c32*g[2]/g[1]*e23;
144 c24 = c42*g[3]/g[1]*e24;
147 c25 = c52*g[4]/g[1]*e25;
150 c34 = c43*g[3]/g[2]*e34;
153 c35 = c53*g[4]/g[2]*e35;
156 c45 = c54*g[4]/g[3]*e45;
159 for( i=0; i < 5; i++ )
167 zz[0][0] = c12 + c13 + c14 + c15;
168 zz[1][0] = -a21 - c21;
169 zz[2][0] = -a31 - c31;
170 zz[3][0] = -a41 - c41;
171 zz[4][0] = -a51 - c51;
175 zz[1][1] = c21 + a21 + c23 + c24 + c25;
176 zz[2][1] = -c32 - a32;
177 zz[3][1] = -c42 - a42;
178 zz[4][1] = -c52 - a52;
183 zz[2][2] = a31 + a32 + c31 + c32 + c34 + c35;
184 zz[3][2] = -c43 - a43;
185 zz[4][2] = -c53 - a53;
191 zz[3][3] = a41 + c41 + a42 + c42 + a43 + c43 + c45;
192 zz[4][3] = -c54 - a54;
197 for( i=0; i < 6; i++ )
199 for( j=0; j < 5; j++ )
201 dmax =
MAX2(zz[i][j],dmax);
205 for( i=0; i < 6; i++ )
207 for( j=0; j < 5; j++ )
214 for( j=0; j < 5; j++ )
216 for( i=0; i < 5; i++ )
218 amat[i][j] = zz[i][j];
231 fprintf(
ioQQQ,
" atom_pop5: dgetrs finds singular or ill-conditioned matrix\n" );
237 for( i=0; i < 5; i++ )
243 p[1] =
MAX2(0.e0,zz[5][1]);
244 p[2] =
MAX2(0.e0,zz[5][2]);
245 p[3] =
MAX2(0.e0,zz[5][3]);
246 p[4] =
MAX2(0.e0,zz[5][4]);
247 p[0] = abund - p[1] - p[2] - p[3] - p[4];