Commit: 9af84c15e2fec8e6cb0fcf8ea0b1df908e078c39 - MolDS (git)

Commit MetaInfo

• Revisão: 9af84c15e2fec8e6cb0fcf8ea0b1df908e078c39 (tree)
• Hora: 2010-12-11 17:42:07
• Autor: Mikiya Fujii <mikiya.fujii@gmai...>
• Commiter: Mikiya Fujii

Mensagem de Log

NULL is set to member-pointers.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@22 1136aad2-a195-0410-b898-f5ea1d11b9d8

Mudança Sumário

• modified: src/cndo/Cndo2.h

Diff

--- a/src/cndo/Cndo2.h
+++ b/src/cndo/Cndo2.h
@@ -107,6 +107,13 @@ Cndo2::Cndo2(){
    this->theory = CNDO2;
    this->SetMessages();
    this->SetEnableAtomTypes();
+   this->gammaAB = NULL;
+   this->overlap = NULL;
+   this->orbitalElectronPopulation = NULL;
+   this->atomicElectronPopulation = NULL;
+   this->fockMatrix = NULL;
+   this->energiesMO = NULL;
+   this->molecule = NULL;
    //cout << "Cndo created\n";
 }