diff --git a/src/DavidsonSolver.cc b/src/DavidsonSolver.cc index b3c22d54..b5cbb5ba 100644 --- a/src/DavidsonSolver.cc +++ b/src/DavidsonSolver.cc @@ -827,6 +827,7 @@ int DavidsonSolver::solve( assert(pmat); pmat->printOccupations(os_); + proj_mat2N_->printEigenvalues(os_); } if (mmpi.PE0() && ct.verbose > 1) diff --git a/src/MGmol.cc b/src/MGmol.cc index ded126b9..b692d7a6 100644 --- a/src/MGmol.cc +++ b/src/MGmol.cc @@ -521,8 +521,7 @@ void MGmol::run() constraints_->projectOutForces(20); - if ((ions_->getNumIons() <= 1024 || ct.verbose > 2) - && ct.verbose > 0) + if ((ions_->getNumIons() <= 1024 || ct.verbose > 1)) ions_->printForcesGlobal(os_); finalEnergy();