update to the pyscf example

from qcor import *

# Create the H2 hamiltonian with Pyscf

H = createOperator('pyscf', {'basis': 'sto-3g', 'geometry': 'H  0.000000   0.0      0.0\nH   0.0        0.0  .7474'})

print('\nOriginal:\n', H.toString())

# Run the Qubit Tapering Observable Transform

H_tapered = operatorTransform('qubit-tapering', H)

print('\nTapered:\n', H_tapered)

# Define a simple 1 qubit ansatz

@qjit

def ansatz(q : qreg, x : List[float]):

    Rx(q[0], x[0])

    Ry(q[0], x[1])

# Create the problem model, provide the state 

# prep circuit, Hamiltonian and note variational parameters 

num_params = 2

problemModel = qsim.ModelBuilder.createModel(ansatz, H_tapered, 2)

# Create the VQE workflow

workflow = qsim.getWorkflow('vqe')

# Execute and print the result

result = workflow.execute(problemModel)

energy = result['energy']

print(energy)

 No newline at end of file

              model.user_defined_ansatz = kernel_functor;

              return std::move(model);

            },

            "")

        .def(

            "createModel",

            [](py::object py_kernel, std::shared_ptr<Observable> &obs,

               const int n_params) {

              qcor::qsim::QuantumSimulationModel model;

              auto nq = obs->nBits();

              auto kernel_functor = std::make_shared<qcor::PyKernelFunctor>(

                  py_kernel, nq, n_params);

              model.observable = obs.get();

              model.user_defined_ansatz = kernel_functor;

              return std::move(model);

            },

            "")

        .def(

            "createModel",

            [](py::object py_kernel, std::shared_ptr<Observable> &obs,

               const int n_qubits, const int n_params) {

              qcor::qsim::QuantumSimulationModel model;

              auto kernel_functor = std::make_shared<qcor::PyKernelFunctor>(

                  py_kernel, n_qubits, n_params);

              model.observable = obs.get();

              model.user_defined_ansatz = kernel_functor;

              return std::move(model);

            },

            "");

    // CostFunctionEvaluator bindings