Fixed uninitialized variable use in libint2::molden::Export

evaleev · Nov 6, 2017 · 0862860 · 0862860
1 parent 1cea0b5
commit 0862860
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Showing 2 changed files with 2 additions and 1 deletion.
diff --git a/CHANGES b/CHANGES
@@ -5,6 +5,7 @@ Following is a brief summary of changes made in each release of Libint.
 
 - 2017-xx-yy: 2.4.1
   - plugged leaky Engine::set_{param,oper,braket}
+  - fixed uninitialized value use by libint2::molden::Export
 
 - 2017-10-25: 2.4.0
   - changed default to use user-provided boost over bundled boost + minor fixes

diff --git a/include/libint2/lcao/molden.h b/include/libint2/lcao/molden.h
@@ -202,7 +202,7 @@ class Export {
   std::vector<std::string> labels_;
   std::vector<bool> spins_;
   mutable bool
-      dfg_is_cart_[3];  // whether {d, f, g} shells are cartesian (true) or
+      dfg_is_cart_[3] = {true, true, true};  // whether {d, f, g} shells are cartesian (true) or
                         // solid harmonics (false)
   std::vector<std::vector<long>>
       atom2shell_;  // maps atom -> shell indices in basis_