Changeset ab64f4 for molecuilder

Timestamp:

Oct 30, 2008, 4:17:23 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

6ce722

Parents:

95628a

git-author:

Frederik Heber <heber@…> (10/30/08 00:56:02)

git-committer:

Frederik Heber <heber@…> (10/30/08 16:17:23)

Message:

Added some commentary to HessianMatrix::SumSubHessians to ease debugging

File:

• molecuilder/src/parser.cpp (modified) (2 diffs)

molecuilder/src/parser.cpp

@@ -786 +786 @@
           }
           if (k != -1) {
+                //cout << "Adding " << sign*Fragments.Matrix[ FragmentNr ][l][m] << " from [" << l << "][" << m << "] onto [" << j << "][" << k << "]." << endl;
             Matrix[MatrixCounter][j][k] += sign*Fragments.Matrix[ FragmentNr ][l][m];
           }
@@ -854 +855 @@
                   }
                   if (Order == SubOrder) { // equal order is always copy from Energies
+                        //cout << "Adding " << MatrixValues.Matrix[ KeySet.OrderSet[SubOrder][j] ][k][l] << " from [" << k << "][" << l << "] onto [" << m << "][" << n << "]." << endl;
                     Matrix[ KeySet.OrderSet[Order][CurrentFragment] ][m][n] += MatrixValues.Matrix[ KeySet.OrderSet[SubOrder][j] ][k][l];
                   } else {
+                        //cout << "Subtracting " << Matrix[ KeySet.OrderSet[SubOrder][j] ][k][l] << " from [" << k << "][" << l << "] onto [" << m << "][" << n << "]." << endl;
                     Matrix[ KeySet.OrderSet[Order][CurrentFragment] ][m][n] -= Matrix[ KeySet.OrderSet[SubOrder][j] ][k][l];
                   }