IMLCV.examples.example_systems
==============================

.. py:module:: IMLCV.examples.example_systems


Attributes
----------

.. autoapisummary::

   IMLCV.examples.example_systems.DATA_ROOT


Functions
---------

.. autoapisummary::

   IMLCV.examples.example_systems.alanine_dipeptide_openmm
   IMLCV.examples.example_systems.alanine_dipeptide_refs
   IMLCV.examples.example_systems.CsPbI3_MACE
   IMLCV.examples.example_systems.CsPbI3_MACE_lattice
   IMLCV.examples.example_systems.CsPbI3_refs
   IMLCV.examples.example_systems._ener_3d_muller_brown
   IMLCV.examples.example_systems._3d_muller_brown_cvs
   IMLCV.examples.example_systems.f_3d_Muller_Brown
   IMLCV.examples.example_systems.toy_1d
   IMLCV.examples.example_systems._toy_periodic_cvs
   IMLCV.examples.example_systems.f_toy_periodic
   IMLCV.examples.example_systems.toy_periodic_phase_trans


Module Contents
---------------

.. py:data:: DATA_ROOT

.. py:function:: alanine_dipeptide_openmm(cv: str | None = 'backbone_dihedrals', bias: IMLCV.base.bias.Bias | None = None)

.. py:function:: alanine_dipeptide_refs()

.. py:function:: CsPbI3_MACE(unit_cells=[2])

.. py:function:: CsPbI3_MACE_lattice(unit_cells=[2])

.. py:function:: CsPbI3_refs(x, y, z, input_atoms=None)

.. py:function:: _ener_3d_muller_brown(cvs, *_)

.. py:function:: _3d_muller_brown_cvs(sp: IMLCV.base.CV.SystemParams, _nl, shmap, shmap_kwargs)

.. py:function:: f_3d_Muller_Brown(sp: IMLCV.base.CV.SystemParams, _)

.. py:function:: toy_1d()

.. py:function:: _toy_periodic_cvs(sp: IMLCV.base.CV.SystemParams, _nl, shmap, shmap_kwargs)

.. py:function:: f_toy_periodic(sp: IMLCV.base.CV.SystemParams, nl: IMLCV.base.CV.NeighbourList, _nl0: IMLCV.base.CV.NeighbourList)

.. py:function:: toy_periodic_phase_trans()