提交: 0549fc71553ca86e99d4cd43bfbe571d4a0433a1 - MolDS (git)

Commit MetaInfo

• 修訂: 0549fc71553ca86e99d4cd43bfbe571d4a0433a1 (tree)
• 時間: 2012-11-27 13:54:29
• 作者: Katsuhiko Nishimra <ktns.87@gmai...>
• Commiter: Katsuhiko Nishimra

Log Message

Use std::numeric_limits::infinity instead of 1.0/0.0. #28915

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/gdiis@1138 1136aad2-a195-0410-b898-f5ea1d11b9d8

Change Summary

• modified: src/optimization/GDIIS.cpp

差異

--- a/src/optimization/GDIIS.cpp
+++ b/src/optimization/GDIIS.cpp
@@ -255,7 +255,8 @@ bool GDIIS::DoGDIIS(double *vectorError, Molecule& molecule, double const* vecto
 }
 
 double GDIIS::MinCosine(){
-   static const double mincos[] = {1.0/0.0, 1.0/0.0, 0.97, 0.84, 0.71, 0.67, 0.62, 0.56, 0.49, 0.41};
+   static const double inf = std::numeric_limits<double>::infinity();
+   static const double mincos[] = {inf, inf, 0.97, 0.84, 0.71, 0.67, 0.62, 0.56, 0.49, 0.41};
    static const int nummincos = sizeof(mincos)/sizeof(mincos[0]);
    int numErrors = listErrors.size();
    return numErrors >= nummincos ? 0.0 : mincos[numErrors];