qiskit-community · manoelmarques · Jul 18, 2022 · Jul 15, 2022 · Jul 15, 2022 · Jul 18, 2022
@@ -22,6 +22,8 @@ __pycache__/
 #Allow
 !qiskit_nature/drivers/second_quantization/gaussiand/gauopen/*.so
 !qiskit_nature/drivers/second_quantization/gaussiand/gauopen/*.pyd
+!qiskit_nature/second_q/drivers/gaussiand/gauopen/*.so
+!qiskit_nature/second_q/drivers/gaussiand/gauopen/*.pyd
 
 
 # Distribution / packaging

@@ -511,6 +511,7 @@ verbatim
 versa
 vibrational
 vibrationalop
+vibrationalops
 vibro
 vmax
 vmin

@@ -42,17 +42,17 @@ Several, as listed below, are supported, and while logic to interface these prog
 Qiskit Nature via the above pip installation, the dependent programs/libraries themselves need
 to be installed separately.
 
-1. [Gaussian 16&trade;](https://qiskit.org/documentation/nature/apidocs/qiskit_nature.drivers.second_quantization.gaussiand.html), a commercial chemistry program
-2. [PSI4](https://qiskit.org/documentation/nature/apidocs/qiskit_nature.drivers.second_quantization.psi4d.html), a chemistry program that exposes a Python interface allowing for accessing internal objects
-3. [PyQuante](https://qiskit.org/documentation/nature/apidocs/qiskit_nature.drivers.second_quantization.pyquanted.html), a pure cross-platform open-source Python chemistry program
-4. [PySCF](https://qiskit.org/documentation/nature/apidocs/qiskit_nature.drivers.second_quantization.pyscfd.html), an open-source Python chemistry program
+1. [Gaussian 16&trade;](https://qiskit.org/documentation/nature/apidocs/qiskit_nature.second_q.drivers.gaussiand.html), a commercial chemistry program
+2. [PSI4](https://qiskit.org/documentation/nature/apidocs/qiskit_nature.second_q.drivers.psi4d.html), a chemistry program that exposes a Python interface allowing for accessing internal objects
+3. [PyQuante](https://qiskit.org/documentation/nature/apidocs/qiskit_nature.second_q.drivers.pyquanted.html), a pure cross-platform open-source Python chemistry program
+4. [PySCF](https://qiskit.org/documentation/nature/apidocs/qiskit_nature.second_q.drivers.pyscfd.html), an open-source Python chemistry program
 
 ### HDF5 Driver
 
 A useful functionality integrated into Qiskit Nature is its ability to serialize a file
 in hierarchical Data Format 5 (HDF5) format representing all the output data from a chemistry driver.
 
-The [HDF5 driver](https://qiskit.org/documentation/nature/stubs/qiskit_nature.drivers.second_quantization.HDF5Driver.html#qiskit_nature.drivers.second_quantization.HDF5Driver)
+The [HDF5 driver](https://qiskit.org/documentation/nature/stubs/qiskit_nature.second_q.drivers.HDF5Driver.html#qiskit_nature.second_q.drivers.HDF5Driver)
 accepts such HDF5 files as input so molecular experiments can be run, albeit on the fixed data
 as stored in the file. As such, if you have some pre-created HDF5 files created from Qiskit
 Nature, you can use these with the HDF5 driver even if you do not install one of the classical
@@ -66,9 +66,9 @@ the ground-state (minimum) energy of a molecule.
 
 ```python
 from qiskit_nature.settings import settings
-from qiskit_nature.drivers import UnitsType
-from qiskit_nature.drivers.second_quantization import PySCFDriver
-from qiskit_nature.problems.second_quantization.electronic import ElectronicStructureProblem
+from qiskit_nature.second_q.drivers import UnitsType
+from qiskit_nature.second_q.drivers import PySCFDriver
+from qiskit_nature.second_q.problems import ElectronicStructureProblem
 
 settings.dict_aux_operators = True
 
@@ -95,8 +95,8 @@ from qiskit.algorithms.optimizers import L_BFGS_B
 optimizer = L_BFGS_B()
 
 # setup the mapper and qubit converter
-from qiskit_nature.mappers.second_quantization import ParityMapper
-from qiskit_nature.converters.second_quantization import QubitConverter
+from qiskit_nature.second_q.mappers import ParityMapper
+from qiskit_nature.second_q.mappers import QubitConverter
 
 mapper = ParityMapper()
 converter = QubitConverter(mapper=mapper, two_qubit_reduction=True)
@@ -105,7 +105,7 @@ converter = QubitConverter(mapper=mapper, two_qubit_reduction=True)
 qubit_op = converter.convert(main_op, num_particles=num_particles)
 
 # setup the initial state for the ansatz
-from qiskit_nature.circuit.library import HartreeFock
+from qiskit_nature.second_q.circuit.library import HartreeFock
 
 init_state = HartreeFock(num_spin_orbitals, num_particles, converter)
 
@@ -203,6 +203,6 @@ This project uses the [Apache License 2.0](https://github.com/Qiskit/qiskit-natu
 
 However there is some code that is included under other licensing as follows:
 
-* The [Gaussian 16 driver](https://github.com/Qiskit/qiskit-nature/tree/main/qiskit_nature/drivers/second_quantization/gaussiand) in `qiskit-nature`
-  contains [work](https://github.com/Qiskit/qiskit-nature/tree/main/qiskit_nature/drivers/second_quantization/gaussiand/gauopen) licensed under the
-  [Gaussian Open-Source Public License](https://github.com/Qiskit/qiskit-nature/blob/main/qiskit_nature/drivers/second_quantization/gaussiand/gauopen/LICENSE.txt).
+* The [Gaussian 16 driver](https://github.com/Qiskit/qiskit-nature/tree/main/qiskit_nature/second_q/drivers/gaussiand) in `qiskit-nature`
+  contains [work](https://github.com/Qiskit/qiskit-nature/tree/main/qiskit_nature/second_q/drivers/gaussiand/gauopen) licensed under the
+  [Gaussian Open-Source Public License](https://github.com/Qiskit/qiskit-nature/blob/main/qiskit_nature/second_q/drivers/gaussiand/gauopen/LICENSE.txt).
@@ -1,4 +1,4 @@
-astroid==2.6.1
-pylint==2.9.0
+astroid==2.6.4
+pylint==2.9.4
 numpy>=1.20.0
 
diff --git a/docs/apidocs/qiskit_nature.algorithms.initial_points.rst b/docs/apidocs/qiskit_nature.algorithms.initial_points.rst
diff --git a/docs/apidocs/qiskit_nature.algorithms.pes_samplers.rst b/docs/apidocs/qiskit_nature.algorithms.pes_samplers.rst
diff --git a/docs/apidocs/qiskit_nature.algorithms.rst b/docs/apidocs/qiskit_nature.algorithms.rst
diff --git a/docs/apidocs/qiskit_nature.circuit.library.ansatzes.utils.rst b/docs/apidocs/qiskit_nature.circuit.library.ansatzes.utils.rst
diff --git a/docs/apidocs/qiskit_nature.circuit.library.rst b/docs/apidocs/qiskit_nature.circuit.library.rst
diff --git a/docs/apidocs/qiskit_nature.circuit.rst b/docs/apidocs/qiskit_nature.circuit.rst
diff --git a/docs/apidocs/qiskit_nature.converters.rst b/docs/apidocs/qiskit_nature.converters.rst
diff --git a/docs/apidocs/qiskit_nature.converters.second_quantization.rst b/docs/apidocs/qiskit_nature.converters.second_quantization.rst
diff --git a/docs/apidocs/qiskit_nature.drivers.rst b/docs/apidocs/qiskit_nature.drivers.rst
diff --git a/docs/apidocs/qiskit_nature.drivers.second_quantization.gaussiand.rst b/docs/apidocs/qiskit_nature.drivers.second_quantization.gaussiand.rst
diff --git a/docs/apidocs/qiskit_nature.drivers.second_quantization.psi4d.rst b/docs/apidocs/qiskit_nature.drivers.second_quantization.psi4d.rst
diff --git a/docs/apidocs/qiskit_nature.drivers.second_quantization.pyquanted.rst b/docs/apidocs/qiskit_nature.drivers.second_quantization.pyquanted.rst
diff --git a/docs/apidocs/qiskit_nature.drivers.second_quantization.pyscfd.rst b/docs/apidocs/qiskit_nature.drivers.second_quantization.pyscfd.rst
diff --git a/docs/apidocs/qiskit_nature.drivers.second_quantization.rst b/docs/apidocs/qiskit_nature.drivers.second_quantization.rst
diff --git a/docs/apidocs/qiskit_nature.hdf5.rst b/docs/apidocs/qiskit_nature.hdf5.rst
@@ -15,3 +15,9 @@
 
    .. autosummary::
       HDF5Storable
+
+
+
+
+
+
diff --git a/docs/apidocs/qiskit_nature.mappers.rst b/docs/apidocs/qiskit_nature.mappers.rst
diff --git a/docs/apidocs/qiskit_nature.mappers.second_quantization.rst b/docs/apidocs/qiskit_nature.mappers.second_quantization.rst
diff --git a/docs/apidocs/qiskit_nature.operators.rst b/docs/apidocs/qiskit_nature.operators.rst
diff --git a/docs/apidocs/qiskit_nature.operators.second_quantization.rst b/docs/apidocs/qiskit_nature.operators.second_quantization.rst
diff --git a/docs/apidocs/qiskit_nature.problems.rst b/docs/apidocs/qiskit_nature.problems.rst
diff --git a/docs/apidocs/qiskit_nature.problems.sampling.protein_folding.rst b/docs/apidocs/qiskit_nature.problems.sampling.protein_folding.rst
diff --git a/docs/apidocs/qiskit_nature.problems.sampling.rst b/docs/apidocs/qiskit_nature.problems.sampling.rst
diff --git a/docs/apidocs/qiskit_nature.problems.second_quantization.rst b/docs/apidocs/qiskit_nature.problems.second_quantization.rst
diff --git a/docs/apidocs/qiskit_nature.properties.rst b/docs/apidocs/qiskit_nature.properties.rst
diff --git a/docs/apidocs/qiskit_nature.properties.second_quantization.electronic.bases.rst b/docs/apidocs/qiskit_nature.properties.second_quantization.electronic.bases.rst
diff --git a/docs/apidocs/qiskit_nature.properties.second_quantization.electronic.integrals.rst b/docs/apidocs/qiskit_nature.properties.second_quantization.electronic.integrals.rst
diff --git a/docs/apidocs/qiskit_nature.properties.second_quantization.electronic.rst b/docs/apidocs/qiskit_nature.properties.second_quantization.electronic.rst
diff --git a/docs/apidocs/qiskit_nature.properties.second_quantization.rst b/docs/apidocs/qiskit_nature.properties.second_quantization.rst
diff --git a/docs/apidocs/qiskit_nature.properties.second_quantization.vibrational.bases.rst b/docs/apidocs/qiskit_nature.properties.second_quantization.vibrational.bases.rst
diff --git a/.../apidocs/qiskit_nature.properties.second_quantization.vibrational.integrals.rst b/.../apidocs/qiskit_nature.properties.second_quantization.vibrational.integrals.rst
diff --git a/docs/apidocs/qiskit_nature.properties.second_quantization.vibrational.rst b/docs/apidocs/qiskit_nature.properties.second_quantization.vibrational.rst
diff --git a/docs/apidocs/qiskit_nature.results.rst b/docs/apidocs/qiskit_nature.results.rst
diff --git a/docs/apidocs/qiskit_nature.results.utils.rst b/docs/apidocs/qiskit_nature.results.utils.rst
diff --git a/docs/apidocs/qiskit_nature.runtime.rst b/docs/apidocs/qiskit_nature.runtime.rst
diff --git a/docs/apidocs/qiskit_nature.second_q.algorithms.initial_points.rst b/docs/apidocs/qiskit_nature.second_q.algorithms.initial_points.rst
@@ -0,0 +1,21 @@
+
+
+initial_points
+================================================
+
+.. automodule:: qiskit_nature.second_q.algorithms.initial_points
+   :no-members:
+   :no-inherited-members:
+   :no-special-members:
+
+
+
+
+
+
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+
+
+
+
+
diff --git a/docs/apidocs/qiskit_nature.second_q.algorithms.rst b/docs/apidocs/qiskit_nature.second_q.algorithms.rst
@@ -0,0 +1,20 @@
+
+
+qiskit_nature.second_q.algorithms
+=================================
+
+.. automodule:: qiskit_nature.second_q.algorithms
+   :no-members:
+   :no-inherited-members:
+   :no-special-members:
+
+
+
+
+
+
+
+
+
+
+
diff --git a/docs/apidocs/qiskit_nature.second_q.circuit.library.ansatzes.utils.rst b/docs/apidocs/qiskit_nature.second_q.circuit.library.ansatzes.utils.rst
@@ -0,0 +1,18 @@
+
+
+utils
+=====================================================
+
+.. automodule:: qiskit_nature.second_q.circuit.library.ansatzes.utils
+
+
+
+
+
+
+
+
+
+
+
+
-Original file line number
+Diff line change
@@ Expand Up / @@ -511,6 +511,7 @@ verbatim @@
     versa
     vibrational
     vibrationalop
+    vibrationalops
     vibro
     vmax
     vmin
@@ Expand Down @@