format molecule file

ahurta92 · Jul 1, 2024 · 4781267 · 4781267
1 parent 7db86a4
commit 4781267
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/madness/chem/molecule.cc b/src/madness/chem/molecule.cc
@@ -305,9 +305,9 @@ void Molecule::read(std::istream& f) {
   }
   throw "No end to the geometry in the input file";
 finished:;
+  update_rcut_with_eprec(parameters.eprec());
   if (parameters.no_orient() == false)
     orient();
-  update_rcut_with_eprec(parameters.eprec());
 }
 
 void Molecule::read_xyz(const std::string filename) {