提交: a408a54abe28ac970101ae01994c25c00556dbb1 - MolDS (git)

Commit MetaInfo

• 修訂: a408a54abe28ac970101ae01994c25c00556dbb1 (tree)
• 時間: 2012-11-09 10:54:36
• 作者: Mikiya Fujii <mikiya.fujii@gmai...>
• Commiter: Mikiya Fujii

Log Message

Unnecessary code is deleted.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1111 1136aad2-a195-0410-b898-f5ea1d11b9d8

Change Summary

• modified: src/cndo/Cndo2.cpp

差異

--- a/src/cndo/Cndo2.cpp
+++ b/src/cndo/Cndo2.cpp
@@ -1544,7 +1544,6 @@ void Cndo2::CalcAtomicElectronPopulation(double* atomicElectronPopulation,
    for(int A=0; A<totalNumberAtoms; A++){
       firstAOIndex = molecule.GetAtom(A)->GetFirstAOIndex();
       numberAOs = molecule.GetAtom(A)->GetValenceSize();
-      atomicElectronPopulation[A] = 0.0;
       for(int i=firstAOIndex; i<firstAOIndex+numberAOs; i++){
          atomicElectronPopulation[A] += orbitalElectronPopulation[i][i];
       }