Commit eb643dd9 authored by Mccaskey, Alex's avatar Mccaskey, Alex
Browse files

setup python and exp_i_theta to be able to use FermionOperators 



Signed-off-by: Mccaskey, Alex's avatarAlex McCaskey <mccaskeyaj@ornl.gov>
parent 71cc9830

python/examples/deuteron_exp_fermion.py

0 → 100644
+24 −0
Original line number Diff line number Diff line 
# Run this from the command line like this

#

# python3 exp_fermion.py -shots 100



from qcor import *



@qjit

def ansatz(q : qreg, t0: float):

    exponent_op1 = adag(0) * a(1) - adag(1) * a(0)

    X(q[0])

    exp_i_theta(q, t0, exponent_op1)    



# Define the hamiltonian

H = -2.1433 * X(0) * X(1) - 2.1433 * Y(0) * Y(1) + .21829 * Z(0) - 6.125 * Z(1) + 5.907



# Create the ObjectiveFunction, specify central finite diff gradient

obj = createObjectiveFunction(ansatz, H, 1, {'gradient-strategy':'central', 'step':1e-1})



# create the lbfgs optimizer

optimizer = createOptimizer('nlopt', {'algorithm':'l-bfgs', 'ftol':1e-3})



# Run VQE...

results = optimizer.optimize(obj)

print(results)
 
 No newline at end of file

python/qcor.in.py

+5 −0
Original line number Diff line number Diff line
@@ -32,6 +32,11 @@ def Y(idx): 
def Z(idx):

    return xacc.quantum.PauliOperator({idx: 'Z'}, 1.0)



def adag(idx):

    return xacc.quantum.FermionOperator([(idx,True)], 1.0)



def a(idx):

    return xacc.quantum.FermionOperator([(idx,False)], 1.0)



cpp_matrix_gen_code = '''#include <pybind11/embed.h>

#include <pybind11/stl.h>

runtime/CMakeLists.txt

+1 −1
Original line number Diff line number Diff line
@@ -16,7 +16,7 @@ target_include_directories(${LIBRARY_NAME} PUBLIC . qrt 
                            execution 

                            utils)



target_link_libraries(${LIBRARY_NAME} PUBLIC xacc::xacc xacc::quantum_gate qrt xacc::pauli)

target_link_libraries(${LIBRARY_NAME} PUBLIC xacc::xacc xacc::quantum_gate qrt xacc::pauli xacc::fermion)



if(APPLE)

  set_target_properties(${LIBRARY_NAME}

runtime/objectives/vqe/vqe.cpp

+2 −1
Original line number Diff line number Diff line
@@ -7,6 +7,7 @@ using namespace cppmicroservices; 


#include <memory>

#include <set>

#include <iomanip> 



#include "AlgorithmGradientStrategy.hpp"

#include "xacc.hpp"
@@ -67,7 +68,7 @@ public: 
      std_dev = std::sqrt(sq_sum / all_energies.size() - val * val);

    }



    std::cout << "<H>(" << this->current_iterate_parameters << ") = " << val;

    std::cout << "<H>(" << this->current_iterate_parameters << ") = " << std::setprecision(12) << val;

    if (std::fabs(std_dev) > 1e-12) {

      std::cout << " +- " << std_dev << "\n";

    } else {

runtime/observable/qcor_observable.cpp

+3 −0
Original line number Diff line number Diff line
@@ -22,6 +22,9 @@ PauliOperator operator-(PauliOperator &op, double coeff) { 
  return -1.0 * coeff + op;

}



FermionOperator adag(int idx) {return FermionOperator(xacc::quantum::Operators{{idx, true}});};

FermionOperator a(int idx) {return FermionOperator(xacc::quantum::Operators{{idx, false}});};



PauliOperator X(int idx) { return PauliOperator({{idx, "X"}}); }



PauliOperator Y(int idx) { return PauliOperator({{idx, "Y"}}); }