Commit: 72f150ec0035ee6bc1fea56a23b5599f47a92e0f - MolDS (git)

Commit MetaInfo

• Revision: 72f150ec0035ee6bc1fea56a23b5599f47a92e0f (tree)
• Zeit: 2014-01-17 17:17:22
• Autor: Katsuhiko Nishimra <ktns.87@gmai...>
• Commiter: Katsuhiko Nishimra

Log Message

Use Dnrm2 in BFGS routine. #30379

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1654 1136aad2-a195-0410-b898-f5ea1d11b9d8

Ändern Zusammenfassung

• modified: src/optimization/BFGS.cpp

Diff

--- a/src/optimization/BFGS.cpp
+++ b/src/optimization/BFGS.cpp
@@ -287,11 +287,7 @@ void BFGS::CalcRFOStep(double* vectorStep,
          }
          //
          // Calculate size of the RFO step
-         normStep = 0;
-         for(int i=0;i<dimension;i++){
-            normStep += vectorStep[i] * vectorStep[i];
-         }
-         normStep = sqrt(normStep);
+         normStep = MolDS_wrappers::Blas::GetInstance()->Dnrm2(dimension, vectorStep);
 
          this->OutputLog(boost::format(this->formatLowestHessianEigenvalue)    % vectorEigenValues[0]);
          this->OutputLog(boost::format(this->format2ndLowestHessianEigenvalue) % vectorEigenValues[1]);