Commit 3c08179f authored by Mccaskey, Alex's avatar Mccaskey, Alex
Browse files

updating examples 



Signed-off-by: Mccaskey, Alex's avatarAlex McCaskey <mccaskeyaj@ornl.gov>
parent 8356c7f0

examples/deuteron_H2_from_fermion_expgen.cpp

+12 −9
Original line number Diff line number Diff line
@@ -4,22 +4,25 @@ int main(int argc, char **argv) { 


  qcor::Initialize(argc, argv);



  auto optimizer = qcor::getOptimizer(

      "nlopt", {{"nlopt-optimizer", "cobyla"}, {"nlopt-maxeval", 20}});

  auto optimizer =

      qcor::getOptimizer("nlopt", {std::make_pair("nlopt-optimizer", "cobyla"),

                                   std::make_pair("nlopt-maxeval", 100)});



  auto op = qcor::getObservable(

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

  auto observable =

      qcor::getObservable("pauli", std::string("5.907 - 2.1433 X0X1 "

                                               "- 2.1433 Y0Y1"

                                               "+ .21829 Z0 - 6.125 Z1"));



  auto future = qcor::submit([&](qcor::qpu_handler &qh) {

    qh.vqe(

        [&](double x) {

          X(0);

          exp_i_theta(x, {{"fermion", "0^ 1 - 1^ 0"}});

        [&](qbit q, double x) {

          X(q[0]);

          exp_i_theta(q, x, {{"fermion", "0^ 1 - 1^ 0"}});

        },

        op, optimizer);

        observable, optimizer, 0.0);

  });



  auto results = future.get();

  auto energy = mpark::get<double>(results->getInformation("opt-val"));

  auto energy = results->getInformation("opt-val").as<double>();

  std::cout << "Results: " << energy << "\n";

}

examples/deuteron_H3_expgen.cpp

+10 −9
Original line number Diff line number Diff line
@@ -4,20 +4,21 @@ int main(int argc, char **argv) { 


  qcor::Initialize(argc, argv);



  auto optimizer = qcor::getOptimizer(

      "nlopt", {{"nlopt-optimizer", "cobyla"}, {"nlopt-maxeval", 20}});

  auto optimizer =

      qcor::getOptimizer("nlopt", {std::make_pair("nlopt-optimizer", "cobyla"),

                                   std::make_pair("nlopt-maxeval", 2000)});



  auto op = qcor::getObservable(

      "pauli", "5.907 - 2.1433 X0X1 - 2.1433 Y0Y1 + .21829 Z0 - 6.125 Z1 + 9.625 - 9.625 Z2 - 3.91 X1 X2 - 3.91 Y1 Y2");

  auto observable =

      qcor::getObservable("pauli", std::string("5.907 - 2.1433 X0X1 - 2.1433 Y0Y1 + .21829 Z0 - 6.125 Z1 + 9.625 - 9.625 Z2 - 3.91 X1 X2 - 3.91 Y1 Y2"));



  auto future = qcor::submit([&](qcor::qpu_handler &qh) {

    qh.vqe(

        [&](double t0, double t1) {

          X(0);

          exp_i_theta(t0, {{"pauli", "X0 Y1 - Y0 X1"}});

          exp_i_theta(t1, {{"pauli", "X0 Z1 Y2 - X2 Z1 Y0"}});

        [&](qbit q, double t0, double t1) {

          X(q[0]);

          exp_i_theta(q, t0, {{"pauli", "X0 Y1 - Y0 X1"}});

          exp_i_theta(q, t1, {{"pauli", "X0 Z1 Y2 - X2 Z1 Y0"}});

        },

        op, optimizer);

        observable, optimizer, 0.0, 0.0);

  });



  auto results = future.get();

examples/h2_hwe_vqe.cpp

+3 −3
Original line number Diff line number Diff line
@@ -13,15 +13,15 @@ H 0.00000 0.00000 0.00000 
H          0.00000        0.00000        0.7474)geom";



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

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

                                {std::make_pair("basis", "sto-3g"), std::make_pair("geometry", geom)});

  int nq = op->nBits();



  std::vector<std::pair<int, int>> coupling{{0, 1}, {1, 2}, {2, 3}};



  auto future = qcor::submit([&](qcor::qpu_handler &qh) {

    qh.vqe(

        [&](std::vector<double> x) {

          hwe(x, {{"n-qubits", nq}, {"layers", 1}, {"coupling", coupling}});

        [&](qbit q, std::vector<double> x) {

          hwe(q, x, {{"n-qubits", nq}, {"layers", 1}, {"coupling", coupling}});

        },

        op, optimizer);

  });

examples/h2_ucc1_expgen_vqe.cpp

+8 −9
Original line number Diff line number Diff line
@@ -10,20 +10,19 @@ 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}});

                                {std::make_pair("basis", "sto-3g"), std::make_pair("geometry", geom)});



  auto future = qcor::submit([&](qcor::qpu_handler &qh) {

    qh.vqe(

        [&](double x) {

          X(0);

          X(2);

          exp_i_theta(x, {{"pauli", "Y0 X1 X2 X3"}});

        [&](qbit q, double x) {

          X(q[0]);

          X(q[2]);

          exp_i_theta(q, x, {{"pauli", "Y0 X1 X2 X3"}});

        },

        op, optimizer);

        op, optimizer, 0.0);

  });



  auto results = future.get();

examples/h2_ucc1_vqe.cpp

+25 −23
Original line number Diff line number Diff line
@@ -4,8 +4,9 @@ int main(int argc, char **argv) { 


  qcor::Initialize(argc, argv);



  auto optimizer = qcor::getOptimizer(

      "nlopt", {{"nlopt-optimizer", "cobyla"}, {"nlopt-maxeval", 1000}});

  auto optimizer =

      qcor::getOptimizer("nlopt", {std::make_pair("nlopt-optimizer", "cobyla"),

                                   std::make_pair("nlopt-maxeval", 2000)});



  auto geom = R"geom(2
@@ -13,33 +14,34 @@ H 0.00000 0.00000 0.00000 
H          0.00000        0.00000        0.7474)geom";



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

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

                                {std::make_pair("basis", "sto-3g"), std::make_pair("geometry", geom)});



  auto future = qcor::submit([&](qcor::qpu_handler &qh) {

    qh.vqe(

        [&](double x) {

          X(0);

          X(2);

          Rx(1.57,0);

          H(1);

          H(2);

          H(3);

          CX(0,1);

          CX(1,2);

          CX(2,3);

          Rz(x, 3);

          CX(2,3);

          CX(1,2);

          CX(0,1);

          Rx(-1.57,0);

          H(1);

          H(2);

          H(3);

        [&](qbit q, double x) {

          X(q[0]);

          X(q[2]);

          Rx(q[0], 1.57);

          H(q[1]);

          H(q[2]);

          H(q[3]);

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

          CX(q[1],q[2]);

          CX(q[2],q[3]);

          Rz(q[3], x);

          CX(q[2],q[3]);

          CX(q[1],q[2]);

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

          Rx(q[0], -1.57);

          H(q[1]);

          H(q[2]);

          H(q[3]);

        },

        op, optimizer);

        op, optimizer, 0.0);

  });



  auto results = future.get();

  auto energy = mpark::get<double>(results->getInformation("opt-val"));

  auto energy = results->getInformation("opt-val").as<double>()

  std::cout << "Results: " << energy << "\n";

  //   results->print();

}