03-Nature Tutorial- Ground state solvers

#This code is from:
#https://qiskit-community.github.io/qiskit-nature/tutorials/03_ground_state_solvers.html

from qiskit_nature.units import DistanceUnit
from qiskit_nature.second_q.drivers import PySCFDriver

driver = PySCFDriver(
    atom="H 0 0 0; H 0 0 0.735",
    basis="sto3g",
    charge=0,
    spin=0,
    unit=DistanceUnit.ANGSTROM,
)

es_problem = driver.run()

from qiskit_nature.second_q.mappers import JordanWignerMapper

mapper = JordanWignerMapper()

from qiskit_algorithms import NumPyMinimumEigensolver

numpy_solver = NumPyMinimumEigensolver()

from qiskit_algorithms import VQE
from qiskit_algorithms.optimizers import COBYLA
#from qiskit.primitives import Estimator
from quantumrings.toolkit.qiskit import QrEstimatorV1 as Estimator

from qiskit_nature.second_q.circuit.library import HartreeFock, UCCSD

ansatz = UCCSD(
    es_problem.num_spatial_orbitals,
    es_problem.num_particles,
    mapper,
    initial_state=HartreeFock(
        es_problem.num_spatial_orbitals,
        es_problem.num_particles,
        mapper,
    ),
)

vqe_solver = VQE(Estimator(), ansatz, COBYLA())
vqe_solver.initial_point = [0.0] * ansatz.num_parameters

from qiskit_algorithms import VQE
from qiskit.circuit.library import TwoLocal

tl_circuit = TwoLocal(
    rotation_blocks=["h", "rx"],
    entanglement_blocks="cz",
    entanglement="full",
    reps=2,
    parameter_prefix="y",
)

another_solver = VQE(Estimator(), tl_circuit, COBYLA())

from qiskit_nature.second_q.algorithms import GroundStateEigensolver

calc = GroundStateEigensolver(mapper, vqe_solver)

res = calc.solve(es_problem)
print(res)

=== GROUND STATE ENERGY ===

* Electronic ground state energy (Hartree): -1.857275025975
  - computed part:      -1.857275025975
~ Nuclear repulsion energy (Hartree): 0.719968994449
> Total ground state energy (Hartree): -1.137306031526

=== MEASURED OBSERVABLES ===

  0:  # Particles: 2.000 S: 0.000 S^2: 0.000 M: 0.000

=== DIPOLE MOMENTS ===

~ Nuclear dipole moment (a.u.): [0.0  0.0  1.3889487]

  0:
  * Electronic dipole moment (a.u.): [0.0  0.0  1.388948701555]
    - computed part:      [0.0  0.0  1.388948701555]
  > Dipole moment (a.u.): [0.0  0.0  -0.000000001555]  Total: 0.000000001555
                 (debye): [0.0  0.0  -0.000000003953]  Total: 0.000000003953

calc = GroundStateEigensolver(mapper, numpy_solver)
res = calc.solve(es_problem)
print(res)

=== GROUND STATE ENERGY ===

* Electronic ground state energy (Hartree): -1.857275030202
  - computed part:      -1.857275030202
~ Nuclear repulsion energy (Hartree): 0.719968994449
> Total ground state energy (Hartree): -1.137306035753

=== MEASURED OBSERVABLES ===

  0:  # Particles: 2.000 S: 0.000 S^2: 0.000 M: 0.000

=== DIPOLE MOMENTS ===

~ Nuclear dipole moment (a.u.): [0.0  0.0  1.3889487]

  0:
  * Electronic dipole moment (a.u.): [0.0  0.0  1.388948701555]
    - computed part:      [0.0  0.0  1.388948701555]
  > Dipole moment (a.u.): [0.0  0.0  -0.000000001555]  Total: 0.000000001555
                 (debye): [0.0  0.0  -0.000000003953]  Total: 0.000000003953

from qiskit_algorithms import NumPyMinimumEigensolver
from qiskit_nature.second_q.drivers import GaussianForcesDriver
from qiskit_nature.second_q.mappers import DirectMapper
from qiskit_nature.second_q.problems import HarmonicBasis

driver = GaussianForcesDriver(logfile="/home/venkat/Downloads/CO2_freq_B3LYP_631g.log")
basis = HarmonicBasis([2, 2, 2, 2])
vib_problem = driver.run(basis=basis)
vib_problem.hamiltonian.truncation_order = 2

mapper = DirectMapper()

solver_without_filter = NumPyMinimumEigensolver()
solver_with_filter = NumPyMinimumEigensolver(
    filter_criterion=vib_problem.get_default_filter_criterion()
)

gsc_wo = GroundStateEigensolver(mapper, solver_without_filter)
result_wo = gsc_wo.solve(vib_problem)

gsc_w = GroundStateEigensolver(mapper, solver_with_filter)
result_w = gsc_w.solve(vib_problem)

print(result_wo)
print("\n\n")
print(result_w)

=== GROUND STATE ===

* Vibrational ground state energy (cm^-1): (-3e-12-0j)
The number of occupied modals for each mode is:
- Mode 0: 0.0
- Mode 1: 0.0
- Mode 2: 0.0
- Mode 3: 0.0



=== GROUND STATE ===

* Vibrational ground state energy (cm^-1): 2432.10695403655
The number of occupied modals for each mode is:
- Mode 0: 1.0
- Mode 1: 1.0
- Mode 2: 1.0
- Mode 3: 1.0