Commit 61802c7b authored by Mccaskey, Alex's avatar Mccaskey, Alex
Browse files

Update h2_ucc1_expgen_vqe.cpp

parent 94b060d8

examples/h2_ucc1_expgen_vqe.cpp

+2 −1
Original line number Diff line number Diff line
@@ -10,7 +10,8 @@ int main(int argc, char **argv) { 
  auto geom = R"geom(2



    H          0.00000        0.00000        0.00000

    H          0.00000        0.00000        0.7474)geom";

    H          0.00000        0.00000        0.7474

    )geom";



  auto op = qcor::getObservable("chemistry",

                                {{"basis", "sto-3g"}, {"geometry", geom}});