| 修订版 | 62726df5fa245bc2bcad0aff329f2e3583147dd9 (tree) |
|---|---|
| 时间 | 2011-10-20 01:30:34 |
| 作者 | Mikiya Fujii <mikiya.fujii@gmai...> |
| Commiter | Mikiya Fujii |
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
src/mndo/Mndo.h (diff)| @@ -56,7 +56,7 @@ protected: | ||
| 56 | 56 | virtual double GetExchangeInt(OrbitalType orbital1, |
| 57 | 57 | OrbitalType orbital2, |
| 58 | 58 | Atom* atom); |
| 59 | - virtual void CalcTwoElecTowCore(double****** twoElecTwoCore, Molecule* molecule); | |
| 59 | + virtual void CalcTwoElecTwoCore(double****** twoElecTwoCore, Molecule* molecule); | |
| 60 | 60 | virtual double GetMolecularIntegralElement(int moI, |
| 61 | 61 | int moJ, |
| 62 | 62 | int moK, |
| @@ -630,7 +630,7 @@ void Mndo::CalcCISMatrix(double** matrixCIS, int numberOcc, int numberVir){ | ||
| 630 | 630 | void Mndo::CalcForce(int electronicStateIndex){ |
| 631 | 631 | } |
| 632 | 632 | |
| 633 | -void Mndo::CalcTwoElecTowCore(double****** twoElecTwoCore, Molecule* molecule){ | |
| 633 | +void Mndo::CalcTwoElecTwoCore(double****** twoElecTwoCore, Molecule* molecule){ | |
| 634 | 634 | if(twoElecTwoCore == NULL){ |
| 635 | 635 | stringstream ss; |
| 636 | 636 | ss << this->errorMessageCalcTwoElecTwoCoreNullMatrix; |
Fork