From: Alan Grimes <agrimes@sp...>  20090703 18:13:15

I was playing with my diode test circuit again and found that one of the underlying issues is the simple row permutation algorithm I used in the LU decomposition class. The matrix is so sparse that it really is a problem. =( There probably is a textbook solution but I"m too lazy to go into my library in the other room right now. =P Here's the permutation algorithm from matrix.cpp: // do row permutations; if(k >= max_k) { double max = std::abs(m_mat>at(k,k)); unsigned int row = k; for(unsigned int j = k + 1; j < n; j++) { double val = std::abs(m_mat>at(j,k)); if(val > max) { max = val; row = j; } } if(row != k) swapRows(k,row); } It doesn't work because one of the diagonal entries ended up being zero. =( (see cell 9H on the spreadsheet). The code would work if it were smart enough to know that it should have swapped row 3 and row 8... (see attached). If we can fix this, we can remove the expensive assertion checks from the code which will make it really fly!!!  New president: Here we go again... Chemistry.com: A total ripoff. Powers are not rights. 