Commit 71094b7a authored by Nguyen, Thien Minh's avatar Nguyen, Thien Minh
Browse files

Added PauliOperator overloads for createModel 



and fixed examples

Signed-off-by: default avatarThien Nguyen <nguyentm@ornl.gov>
parent af61e1f7

lib/qsim/base/qcor_qsim.hpp

+14 −0
Original line number Diff line number Diff line
@@ -91,6 +91,12 @@ public: 
  //     e.g. a function to map from time to Hamiltonian operator.

  static QuatumSimulationModel createModel(Observable *obs, TdObservable td_ham,

                                           const HeterogeneousMap &params = {});

  // Pauli operator overload:

  static QuatumSimulationModel

  createModel(PauliOperator &obs, TdObservable td_ham,

              const HeterogeneousMap &params = {}) {

    return createModel(&obs, td_ham, params);

  }



  // ========  High-level model builder ==============

  // The idea here is to have contributed modules to translate problem
@@ -120,6 +126,14 @@ public: 
    model.user_defined_ansatz = kernel_functor;

    return model;

  }



  template <typename... Args>

  static inline QuatumSimulationModel createModel(

      void (*quantum_kernel_functor)(std::shared_ptr<CompositeInstruction>,

                                     Args...),

      PauliOperator &obs, size_t nbQubits, size_t nbParams) {

    return createModel(quantum_kernel_functor, &obs, nbQubits, nbParams);

  }

};



// Quantum Simulation Workflow (Protocol)

lib/qsim/impls/tests/TrotterTdWorkflow.cpp

+1 −1
Original line number Diff line number Diff line
@@ -24,7 +24,7 @@ int main(int argc, char **argv) { 


  // Example: build model and TD workflow for Fig. 2 of

  // https://journals.aps.org/prb/pdf/10.1103/PhysRevB.101.184305

  auto problemModel = ModelBuilder::createModel(&observable, H);

  auto problemModel = ModelBuilder::createModel(observable, H);

  // Trotter step = 3fs, number of steps = 100 -> end time = 300fs

  auto workflow = qcor::getWorkflow(

      "td-evolution", {{"method", "trotter"}, {"dt", 3.0}, {"steps", 100}});

lib/qsim/impls/tests/VqeWithAnsatzCircuit.cpp

+4 −7
Original line number Diff line number Diff line
@@ -14,14 +14,11 @@ __qpu__ void ansatz(qreg q, double theta) { 
}



int main(int argc, char **argv) {

  // Allocate 2 qubits

  auto q = qalloc(2);



  // Create the Deuteron Hamiltonian

  auto H = createObservable(

      "5.907 - 2.1433 X0X1 - 2.1433 Y0Y1 + .21829 Z0 - 6.125 Z1");



  auto problemModel = ModelBuilder::createModel(ansatz, H.get(), q.size(), 1);

  auto H = 5.907 - 2.1433*X(0)*X(1) - 2.143*Y(0)*Y(1) + 0.21829*Z(0) - 6.125*Z(1);

  const auto num_qubits = 2;

  const auto num_params = 1;

  auto problemModel = ModelBuilder::createModel(ansatz, H, num_qubits, num_params);

  auto optimizer = createOptimizer("nlopt");

  // Instantiate a VQE workflow with the nlopt optimizer

  auto workflow = qcor::getWorkflow("vqe", {{"optimizer", optimizer}});