.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "gen_examples/ionic/plot_HNC_potentials.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

    .. note::
        :class: sphx-glr-download-link-note

        :ref:`Go to the end <sphx_glr_download_gen_examples_ionic_plot_HNC_potentials.py>`
        to download the full example code

.. rst-class:: sphx-glr-example-title

.. _sphx_glr_gen_examples_ionic_plot_HNC_potentials.py:


HNC: Potentials
===============

.. GENERATED FROM PYTHON SOURCE LINES 5-86



.. image-sg:: /gen_examples/ionic/images/sphx_glr_plot_HNC_potentials_001.svg
   :alt: plot HNC potentials
   :srcset: /gen_examples/ionic/images/sphx_glr_plot_HNC_potentials_001.svg
   :class: sphx-glr-single-img


.. rst-class:: sphx-glr-script-out

 .. code-block:: none

    /home/runner/.cache/pypoetry/virtualenvs/jaxrts-YOcK0dq_-py3.12/lib/python3.12/site-packages/matplotlib/cbook.py:1355: UserWarning: The unit of a Quantity is stripped when downcasted to an array.
      return np.asarray(x, float)
    /home/runner/.cache/pypoetry/virtualenvs/jaxrts-YOcK0dq_-py3.12/lib/python3.12/site-packages/matplotlib/cbook.py:1355: UserWarning: The unit of a Quantity is stripped when downcasted to an array.
      return np.asarray(x, float)
    /home/runner/.cache/pypoetry/virtualenvs/jaxrts-YOcK0dq_-py3.12/lib/python3.12/site-packages/matplotlib/cbook.py:1355: UserWarning: The unit of a Quantity is stripped when downcasted to an array.
      return np.asarray(x, float)
    /home/runner/.cache/pypoetry/virtualenvs/jaxrts-YOcK0dq_-py3.12/lib/python3.12/site-packages/matplotlib/cbook.py:1355: UserWarning: The unit of a Quantity is stripped when downcasted to an array.
      return np.asarray(x, float)






|

.. code-block:: Python


    import jax.numpy as jnp
    import jpu.numpy as jnpu
    import matplotlib.pyplot as plt

    import jaxrts
    from jaxrts import ureg

    plt.style.use("science")

    r = jnpu.linspace(0.001 * ureg.angstrom, 10 * ureg.a0, 2**12).to(ureg.angstrom)

    dr = r[1] - r[0]
    dk = jnp.pi / (len(r) * dr)
    k = jnp.pi / r[-1] + jnp.arange(len(r)) * dk

    T = 10 * ureg.electron_volt / ureg.boltzmann_constant

    Gamma = 30
    di = 1 / (
        Gamma
        * (1 * ureg.boltzmann_constant)
        * T
        * 4
        * jnp.pi
        * ureg.epsilon_0
        / ureg.elementary_charge**2
    )

    n = (1 / (di**3 * (4 * jnp.pi / 3))).to(1 / ureg.angstrom**3)

    state = jaxrts.PlasmaState(
        [jaxrts.Element("H")],
        [1],
        [n * jaxrts.Element("H").atomic_mass],
        [T],
        [T],
    )

    V = jaxrts.hnc_potentials.CoulombPotential()

    V_l = V.long_r(state, r)
    V_s = V.short_r(state, r)

    V_l_k_analytical = V.long_k(state, k)
    V_l_k_transformed, _ = jaxrts.hnc_potentials.transformPotential(V_l, r)

    fig, ax = plt.subplots(2)
    ax[0].plot(
        r.m_as(ureg.angstrom),
        V_s[0, 0, :],
        label="$V_s^C$",
    )
    ax[0].plot(
        r.m_as(ureg.angstrom),
        V_l[0, 0, :],
        label="$V_l^C$",
    )


    ax[1].plot(
        k.m_as(1 / ureg.angstrom),
        V_l_k_analytical[0, 0, :],
        label="$V_l^C$ (analytic)",
    )
    ax[1].plot(
        k.m_as(1 / ureg.angstrom),
        V_l_k_transformed[0, 0, :],
        label="$V_l^C$ (transformed)",
    )

    ax[0].set_ylim(0.01, 25)
    ax[0].set_xlim(-0.01, 0.151)
    ax[1].set_xlim(-0.01, 25.1)
    ax[0].set_xlabel("$r$ [$\\AA$]")
    ax[1].set_xlabel("$k$ [1/$\\AA$]")
    ax[0].legend()
    ax[1].legend()

    plt.tight_layout()
    plt.show()


.. rst-class:: sphx-glr-timing

   **Total running time of the script:** (0 minutes 3.415 seconds)


.. _sphx_glr_download_gen_examples_ionic_plot_HNC_potentials.py:

.. only:: html

  .. container:: sphx-glr-footer sphx-glr-footer-example

    .. container:: sphx-glr-download sphx-glr-download-jupyter

      :download:`Download Jupyter notebook: plot_HNC_potentials.ipynb <plot_HNC_potentials.ipynb>`

    .. container:: sphx-glr-download sphx-glr-download-python

      :download:`Download Python source code: plot_HNC_potentials.py <plot_HNC_potentials.py>`


.. only:: html

 .. rst-class:: sphx-glr-signature

    `Gallery generated by Sphinx-Gallery <https://sphinx-gallery.github.io>`_