Commit: 61085940822cbfa8f97f9f7d14bfbbe12f714d9a - MolDS (git)

Commit MetaInfo

• Revisão: 61085940822cbfa8f97f9f7d14bfbbe12f714d9a (tree)
• Hora: 2013-08-08 19:43:44
• Autor: Katsuhiko Nishimra <ktns.87@gmai...>
• Commiter: Katsuhiko Nishimra

Mensagem de Log

Use Blas::Dcopy in BFGS::SearchMinimum. #31856

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1470 1136aad2-a195-0410-b898-f5ea1d11b9d8

Mudança Sumário

• modified: src/optimization/BFGS.cpp

Diff

--- a/src/optimization/BFGS.cpp
+++ b/src/optimization/BFGS.cpp
@@ -141,9 +141,7 @@ void BFGS::SearchMinimum(boost::shared_ptr<ElectronicStructure> electronicStruct
 
          // Store old Force data
          MallocerFreer::GetInstance()->Malloc(&vectorOldForce, dimension);
-         for(int i =0;i < dimension; i++){
-            vectorOldForce[i] = vectorForce[i];
-         }
+         MolDS_wrappers::Blas::GetInstance()->Dcopy(dimension, vectorForce, vectorOldForce);
 
          this->StoreMolecularGeometry(matrixOldCoordinates, molecule);