Commit 4410d6e2 authored by Mccaskey, Alex's avatar Mccaskey, Alex
Browse files

adding a few more allowed kernel args, demoed with 3-qbit deuteron 



Signed-off-by: Mccaskey, Alex's avatarAlex McCaskey <mccaskeyaj@ornl.gov>
parent eb643dd9

python/examples/deuteron_3qbit_exp_fermion.py

0 → 100644
+39 −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, x: List[float], exp_args: List[FermionOperator]):

    X(q[0])

    for i in range(len(exp_args)):

        exp_i_theta(q, x[i], exp_args[i])



exp_args = [adag(0) * a(1) - adag(1)*a(0), adag(0)*a(2) - adag(2)*a(0)]



# Custom arg_translator in a Pythonic way

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

    ret_dict = {}    

    ret_dict["q"] = q

    ret_dict["x"] = x

    ret_dict["exp_args"] = exp_args

    return ret_dict



ansatz.translate = MethodType(ansatz_translate, qjit)



# Define the hamiltonian

H = createOperator(

    '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')



# Create the ObjectiveFunction, specify central finite diff gradient

obj = createObjectiveFunction(

    ansatz, H, 2)

    #, {'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)

python/py-qcor.cpp

+3 −1
Original line number Diff line number Diff line
@@ -54,7 +54,9 @@ namespace { 
// Here we enumerate them as a Variant

using AllowedKernelArgTypes =

    xacc::Variant<bool, int, double, std::string, xacc::internal_compiler::qreg,

                  std::vector<double>, std::vector<int>, qcor::PauliOperator, qcor::PairList<int>>;

                  std::vector<double>, std::vector<int>, qcor::PauliOperator,

                  qcor::FermionOperator, qcor::PairList<int>,

                  std::vector<qcor::PauliOperator>, std::vector<qcor::FermionOperator>>;



// We will take as input a mapping of arg variable names to the argument itself.

using KernelArgDict = std::map<std::string, AllowedKernelArgTypes>;

python/qcor.in.py

+6 −1
Original line number Diff line number Diff line
@@ -15,8 +15,10 @@ from collections import defaultdict 


List = typing.List

Tuple = typing.Tuple

MethodType = types.MethodType



PauliOperator = xacc.quantum.PauliOperator

FermionOperator = xacc.quantum.FermionOperator 

FLOAT_REF = typing.NewType('value', float)

INT_REF = typing.NewType('value', int)
@@ -164,7 +166,10 @@ class qjit(object): 
                                     '<class \'float\'>': 'double', 'typing.List[float]': 'std::vector<double>',

                                     '<class \'int\'>': 'int', 'typing.List[int]': 'std::vector<int>',

                                     '<class \'_pyxacc.quantum.PauliOperator\'>': 'qcor::PauliOperator',

                                     'typing.List[typing.Tuple[int, int]]': 'PairList<int>'}

                                     '<class \'_pyxacc.quantum.FermionOperator\'>': 'qcor::FermionOperator',

                                     'typing.List[typing.Tuple[int, int]]': 'PairList<int>',

                                     'typing.List[_pyxacc.quantum.PauliOperator]': 'std::vector<qcor::PauliOperator>',

                                     'typing.List[_pyxacc.quantum.FermionOperator]': 'std::vector<qcor::FermionOperator>'}

        self.__dict__.update(kwargs)



        # Create the qcor just in time engine