Changeset d13755

Timestamp:

Mar 11, 2013, 11:33:01 PM (13 years ago)

Author:

Frederik Heber <heber@…>

Children:

9fdbcc

Parents:

889c27

git-author:

Frederik Heber <heber@…> (03/07/13 21:27:11)

git-committer:

Frederik Heber <heber@…> (03/11/13 23:33:01)

Message:

Added printing of eigenvalues for inspection.

File:

• src/bin/mpqc/mpqc.cc (modified) (1 diff)

src/bin/mpqc/mpqc.cc

@@ -1625 +1625 @@
          RefDiagSCMatrix evals = scf->eigenvalues();
 
+         std::cout << "Eigenvalues:" << std::endl;
          for(int i=0;i<wfn->oso_dimension(); ++i) {
            data.energies.eigenvalues.push_back(evals(i));
-           //std::cout << i << "th eigenvalue is " << evals(i) << std::endl;
+           std::cout << i << "th eigenvalue is " << evals(i) << std::endl;
          }
 //       }