Commit: 62726df5fa245bc2bcad0aff329f2e3583147dd9 - MolDS (git)

Commit MetaInfo

• Révision: 62726df5fa245bc2bcad0aff329f2e3583147dd9 (tree)
• l'heure: 2011-10-20 01:30:34
• Auteur: Mikiya Fujii <mikiya.fujii@gmai...>
• Commiter: Mikiya Fujii

Message de Log

Typo is corrected. Mndo::CalcTwoElecTowCore is renamed to Mndo::CalcTwoElecTwoCore

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@231 1136aad2-a195-0410-b898-f5ea1d11b9d8

Change Summary

• modified: src/mndo/Mndo.h

Modification

--- a/src/mndo/Mndo.h
+++ b/src/mndo/Mndo.h
@@ -56,7 +56,7 @@ protected:
    virtual double GetExchangeInt(OrbitalType orbital1, 
                                  OrbitalType orbital2, 
                                  Atom* atom); 
-   virtual void CalcTwoElecTowCore(double****** twoElecTwoCore, Molecule* molecule);
+   virtual void CalcTwoElecTwoCore(double****** twoElecTwoCore, Molecule* molecule);
    virtual double GetMolecularIntegralElement(int moI, 
                                               int moJ, 
                                               int moK, 
@@ -630,7 +630,7 @@ void Mndo::CalcCISMatrix(double** matrixCIS, int numberOcc, int numberVir){
 void Mndo::CalcForce(int electronicStateIndex){
 }
 
-void Mndo::CalcTwoElecTowCore(double****** twoElecTwoCore, Molecule* molecule){
+void Mndo::CalcTwoElecTwoCore(double****** twoElecTwoCore, Molecule* molecule){
    if(twoElecTwoCore == NULL){
       stringstream ss;
       ss << this->errorMessageCalcTwoElecTwoCoreNullMatrix;