Commit: 013e4d0ea5439f61aae85458e668115a465a7f9f - MolDS (git)

Commit MetaInfo

• Revision: 013e4d0ea5439f61aae85458e668115a465a7f9f (tree)
• Time: 2013-03-10 22:25:40
• Author: Mikiya Fujii <mikiya.fujii@gmai...>
• Commiter: Mikiya Fujii

Log Message

refactoring Blas::Dgemmm #30829

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1317 1136aad2-a195-0410-b898-f5ea1d11b9d8

Change Summary

• modified: src/base/atoms/Atom.cpp
• modified: src/base/atoms/Atom.h

Incremental Difference

--- a/src/base/atoms/Atom.cpp
+++ b/src/base/atoms/Atom.cpp
@@ -174,15 +174,6 @@ void Atom::SetPxyz(double px, double py, double pz) const{
 #endif
    pxyz[0]= px; pxyz[1]= py; pxyz[2]= pz;
 }
-/*
-int Atom::GetValenceSize() const{
-   return this->valence.size();
-}
-*/
-
-OrbitalType Atom::GetValence(int index) const{
-   return this->valence[index];
-}
 
 double Atom::GetVdWCoefficient() const{
    return this->vdWCoefficient;

--- a/src/base/atoms/Atom.h
+++ b/src/base/atoms/Atom.h
@@ -32,7 +32,7 @@ public:
    double* GetPxyz() const;
    void SetPxyz(double px, double py, double pz) const;
    inline int GetValenceSize() const{return this->valence.size();}
-   MolDS_base::OrbitalType GetValence(int index) const;
+   inline MolDS_base::OrbitalType GetValence(int index) const{return his->valence[index];}
    double GetVdWCoefficient() const;
    double GetVdWRadii() const;
    double GetAtomicBasisValue(double x,