Metadata-Version: 2.1
Name: PennyLane-Qchem
Version: 0.11.0
Summary: Package for quantum chemistry applications
Home-page: http://xanadu.ai
Maintainer: Xanadu Inc.
Maintainer-email: software@xanadu.ai
License: UNKNOWN
Description: PennyLane-Qchem
        ===============
        
        PennyLane-Qchem is a PennyLane package that provides tools to generate and decompose the
        many-electron Hamiltonian of a molecular system. Once generated, the Hamiltonian can
        be used to perform quantum chemistry simulations in PennyLane.
        
        See the `documentation <https://pennylane.readthedocs.io/en/stable/introduction/chemistry.html>`_
        for more details.
        
        Features
        --------
        
        - *Focused on near-term hardware*. Currently written to be used with
          Variational Quantum Eigensolver (VQE) algorithms to estimate the ground state energy
          of molecules using quantum simulators and/or near-term quantum computers.
        
        - *Standardized input data*. As most of the electronic structure packages, PennLane-Qchem
          just requires the atomic structure of the molecule to be simulated, its net charge,
          the spin-multiplicity of the ground state and the atomic basis set used to solve the
          *meanfield* electronic structure problem.
        
        - *Low barrier to entry*. Designed to require little prior knowledge of quantum computing from
          the user. It's our job to know how to encode problems into quantum hardware!
        
        - *Integration*. PennyLane-Qchem makes use of `OpenFermion <https://github.com/quantumlib/OpenFermion>`__
          and the electronic structure package plugins `OpenFermion-Psi4 <https://github.com/quantumlib/OpenFermion-Psi4>`__
          and `OpenFermion-PySCF <https://github.com/quantumlib/OpenFermion-PySCF>`__.
        
        Installation
        ------------
        
        PennyLane-Qchem requires Python version 3.5 and above, and the following dependencies:
        
        * `pySCF <https://sunqm.github.io/pyscf>`__
          and `OpenFermion-PySCF <https://github.com/quantumlib/OpenFermion-pyscf>`__ >= 0.4
        
        * (optional) `Psi4 <http://www.psicode.org/>`__
          and `OpenFermion-Psi4 <https://github.com/quantumlib/OpenFermion-Psi4>`__ >= 0.4
        
          The easiest way to install Psi4 is via Ananconda:
        
          .. code-block:: bash
        
            conda install psi4 psi4-rt -c psi4
        
        * `OpenFermion <https://github.com/quantumlib/OpenFermion>`__ >= 0.10
        
        * `Open Babel <https://openbabel.org>`__ (optional)
        
          Open Babel can be installed using ``apt`` if on Ubuntu/Debian:
        
          .. code-block:: bash
        
              sudo apt install openbabel
        
          or using Anaconda:
        
          .. code-block:: bash
        
              conda install -c conda-forge openbabel
        
        Once the requirements are installed, PennyLane-Qchem can be installed using pip:
        
        .. code-block:: bash
        
            pip install pennylane-qchem
        
        Once installed, it is available via
        
        .. code-block:: python
        
        	from pennylane import qchem
        
        Authors
        -------
        
        `Alain Delgado Gran <https://github.com/agran2018>`__, `Josh Izaac <https://github.com/josh146>`__,
        `Zeyue Niu <https://github.com/zeyueN>`__, `Soran Jahangiri <https://github.com/soranjh>`__,
        `Juan Miguel Arrazola <https://github.com/ixfoduap>`__ and `Nathan Killoran <https://github.com/co9olguy>`__.
        
Platform: UNKNOWN
Classifier: Development Status :: 1 - Planning
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: Natural Language :: English
Classifier: Operating System :: POSIX
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: Microsoft :: Windows
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Topic :: Scientific/Engineering :: Physics
Provides: pennylane_qchem
Description-Content-Type: text/x-rst
