Pushed qjit paper scripts for references

from qcor import *

import time 

@qjit

def trotter_circ(q : qreg, exp_args: List[PauliOperator], n_steps: int):

  for i in range(n_steps):

    for exp_arg in exp_args:

      exp_i_theta(q, 1.0, exp_arg)

#H2 = createOperator('pyscf', {'basis': 'sto-3g', 'geometry': 'H  0.000000   0.0      0.0\nH   0.0        0.0  .7474'})

# H_2_O = createOperator('pyscf', {'basis': 'sto-3g', 'geometry': 

# '''O    0.   0.       0

# h    0.   -0.757   0.587

# h    0.   0.757    0.587'''})

#N2 = createOperator('pyscf', {'basis': 'sto-3g', 'geometry': 'N 0 0 0 \n N 0 0 1.1'})

C2_H_4 = createOperator('pyscf', {'basis': 'sto-3g', 'geometry': 

'''C -0.65830719  0.61123287 -0.00800148

   C 0.73685281  0.61123287 -0.00800148

   H  1.43439081  1.81898387 -0.00800148

   H -1.35568919  1.81920887 -0.00868348

   H -1.20806619 -0.34108413 -0.00755148

   H  1.28636081 -0.34128013 -0.00668648

'''})

H = C2_H_4

# print(H.toString())

# print(H.nBits())

# print(H.asPauli.getNonIdentitySubTerms())

q = qalloc(H.nBits())

nbSteps = 1

print('n_bits =', H.nBits())

print('n_terms =', len(H.asPauli.getNonIdentitySubTerms()))

start = time.time()

n_instructions = trotter_circ.n_instructions(q, H.asPauli.getNonIdentitySubTerms(), nbSteps)

end = time.time()

print('Elapsed time =', end - start, "[secs]")

print(n_instructions)

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import time 

from qiskit.chemistry import FermionicOperator

from qiskit.chemistry.drivers import PySCFDriver, UnitsType

from qiskit import QuantumRegister, ClassicalRegister, QuantumCircuit

# driver = PySCFDriver(atom='O 0. 0. 0.;H 0. -0.757 0.587;H 0. 0.757 0.587', unit=UnitsType.ANGSTROM, basis='sto3g')

# driver = PySCFDriver(atom='N 0 0 0; N 0 0 1.1', unit=UnitsType.ANGSTROM, basis='sto3g')

driver = PySCFDriver(atom='C -0.65830719 0.61123287 -0.00800148;C 0.73685281 0.61123287 -0.00800148;H 1.43439081 1.81898387 -0.00800148;H -1.35568919 1.81920887 -0.00868348;H -1.20806619 -0.34108413 -0.00755148;H 1.28636081 -0.34128013 -0.00668648', unit=UnitsType.ANGSTROM, basis='sto3g')

molecule = driver.run()

fer_op = FermionicOperator(h1=molecule.one_body_integrals, h2=molecule.two_body_integrals)

map_type = 'PARITY'

qubit_op = fer_op.mapping(map_type)

print(qubit_op)

nbQubits = qubit_op.num_qubits

print(nbQubits)

ham_op = qubit_op

nbSteps = 1

q = QuantumRegister(nbQubits, 'q')

start = time.time()

circuit = ham_op.evolve().decompose()

end = time.time()

print("Kernel eval time:", end - start, " [secs]")

ops_count = circuit.count_ops()

print(ops_count)

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from qcor import *

@qjit

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

  X(q[0])

  Ry(q[1], t0)

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

# 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

obj = createObjectiveFunction(ansatz, H, 1, {'verbose': True})

# Create the nlopt optimizer 

# Use COBYLA method by default.

optimizer = createOptimizer('nlopt')

# Run VQE.

results = optimizer.optimize(obj)

print(results)

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