Merge pull request #1068 from mlestep/oeprop-printing

Oeprop printing
psi4 · Jul 4, 2018 · e8fe8e3 · e8fe8e3
2 parents 72c30b5 + b6dd8b4
commit e8fe8e3
Showing 1 changed file with 6 additions and 1 deletion.
diff --git a/psi4/src/psi4/libmints/oeprop.cc b/psi4/src/psi4/libmints/oeprop.cc
@@ -863,7 +863,12 @@ bool from_string(T& t,
 void OEProp::compute()
 {
 
-    outfile->Printf( "\nProperties computed using the %s density matrix\n\n", title_.c_str());
+
+    if (title_ == "") {
+        outfile->Printf("OEProp: No title given, name of density matrix used for the following properties is '%s'\n", Da_so_->name().c_str());
+    } else {
+        outfile->Printf( "\nProperties computed using the %s density matrix\n\n", title_.c_str());
+    }
 
     // Search for multipole strings, which are handled separately
     std::set<std::string>::const_iterator iter = tasks_.begin();