Commit bb05dacb authored by Mccaskey, Alex's avatar Mccaskey, Alex
Browse files

adding qsim_vqe example 



Signed-off-by: Mccaskey, Alex's avatarAlex McCaskey <mccaskeyaj@ornl.gov>
parent bce07606

python/examples/qsim_vqe.py

0 → 100644
+31 −0
Original line number Diff line number Diff line 
from qcor import * 



# Define the deuteron hamiltonian 

H = -2.1433 * X(0) * X(1) - 2.1433 * \

    Y(0) * Y(1) + .21829 * Z(0) - 6.125 * Z(1) + 5.907



# Define the quantum kernel by providing a 

# python function that is annotated with qjit for 

# quantum just in time compilation

@qjit

def ansatz(q : qreg, theta : float):

    X(q[0])

    Ry(q[1], theta)

    CX(q[1], q[0])



# Create the problem model, provide the state 

# prep circuit, Hamiltonian and note how many qubits

# and variational parameters 

num_params = 1

problemModel = qsim.ModelBuilder.createModel(ansatz, H, num_params)

      

# Create the NLOpt derivative free optimizer

optimizer = createOptimizer('nlopt')



# Create the VQE workflow

workflow = qsim.getWorkflow('vqe', {'optimizer': optimizer})



# Execute and print the result

result = workflow.execute(problemModel)

energy = result['energy']

print(energy)
 
 No newline at end of file

python/py-qcor.cpp

+33 −20
Original line number Diff line number Diff line
@@ -119,7 +119,6 @@ class PyObjectiveFunction : public qcor::ObjectiveFunction { 
  PyObjectiveFunction(py::object q, qcor::PauliOperator &qq, const int n_dim,

                      const std::string &helper_name)

      : py_kernel(q) {

    

    // Set the OptFunction dimensions

    _dim = n_dim;
@@ -359,6 +358,20 @@ PYBIND11_MODULE(_pyqcor, m) { 
              return qcor::qsim::ModelBuilder::createModel(obs, ham_func);

            },

            "Return the Model for a time-dependent problem.")

        .def(

            "createModel",

            [](py::object py_kernel, qcor::PauliOperator &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;

              model.user_defined_ansatz = kernel_functor;

              return std::move(model);

            },

            "")

            

        .def(

            "createModel",

            [](py::object py_kernel, qcor::PauliOperator &obs,