.. _api_documentation:


.. ::
    
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    * with overline, for chapters
    =, for sections
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API documentation
******************


pymatgen Modules
================


.. index:: units

Units   
-----

.. automodule:: pymatgen_core.core.units
   :members:
   :show-inheritance:   
   

.. index:: lattice

Lattice   
-------

.. autoclass:: pymatgen_core.core.lattice.Lattice
   :members:
   :show-inheritance:   
   

.. index:: structures

Structures Module
=================

.. index:: Structure

Structure Components 
----------------------

.. autoclass:: streamm.structures.particle.Particle
   :members:
   :show-inheritance:
   
   
.. autoclass:: streamm.structures.bond.Bond
   :members:
   :show-inheritance:   
   

.. autoclass:: streamm.structures.angle.Angle
   :members:
   :show-inheritance:   
   
.. autoclass:: streamm.structures.dihedral.Dihedral
   :members:
   :show-inheritance:   
   

.. autoclass:: streamm.structures.improper.Improper
   :members:
   :show-inheritance:   

.. index:: group

Group
-----

.. autoclass:: streamm.structures.group.Group
   :members:
   :show-inheritance:   
   

.. autoclass:: streamm.structures.group.Groups
   :members:
   :show-inheritance:   
   
.. index:: nblist

Neighbor List
---------------

.. autoclass:: streamm.structures.nblist.NBlist
   :members:
   :show-inheritance:   
   
   
      
.. index:: buildingblocks

Structure Container
-------------------

.. autoclass:: streamm.structures.structure.Structure
   :members:
   :show-inheritance:   


Buildingblock
-------------

.. autoclass:: streamm.structures.buildingblock.Buildingblock
   :members:
   :show-inheritance:   


.. index:: forcefields

Forcefields Module
==================

.. index:: Forcefields

Forcefield Components 
----------------------

.. index:: particletype

.. autoclass:: streamm.forcefields.particletype.Particletype
   :members:
   :show-inheritance:   
   
.. index:: bondtype

.. autoclass:: streamm.forcefields.bondtype.Bondtype
   :members:
   :show-inheritance:   
   

.. index:: angletype

.. autoclass:: streamm.forcefields.angletype.Angletype
   :members:
   :show-inheritance: 


.. index:: dihtype

.. autoclass:: streamm.forcefields.dihtype.Dihtype
   :members:
   :show-inheritance: 


.. index:: imptype

.. autoclass:: streamm.forcefields.imptype.Imptype
   :members:
   :show-inheritance: 


Parameter Container
-------------------

.. index:: paramC

.. autoclass:: streamm.forcefields.parameters.Parameters
   :members:
   :show-inheritance: 


.. index:: calculations

Calculations Module
===================

Calculation
-----------

.. autoclass:: streamm.calculations.calculation.Calculation
   :members:
   :show-inheritance:   
   
.. autoclass:: streamm.calculations.calculation.MDrun
   :members:
   :show-inheritance:   
   

.. autoclass:: streamm.calculations.calculation.ElectronTransfer
   :members:
   :show-inheritance:   

.. index:: resource



.. index:: gaussian

Gaussian
--------

.. autoclass:: streamm.calculations.gaussian.Gaussian
   :members:
   :show-inheritance:   


.. index:: nwchem

NWChem
--------

.. autoclass:: streamm.calculations.nwchem.NWChem
   :members:
   :show-inheritance:   
      
      
.. index:: lammps

LAMMPS
--------

.. autoclass:: streamm.calculations.lammps.LAMMPS
   :members:
   :show-inheritance:
   

Resource
--------

.. autoclass:: streamm.calculations.resource.Resource
   :members:
   :show-inheritance:   

Project
--------

.. autoclass:: streamm.calculations.project.Project
   :members:
   :show-inheritance:
      
.. index:: mpi

MPI Module
===========

.. automodule:: streamm.mpi.mpiBase
   :members:
   :show-inheritance:   
         

.. index:: util

util Module
===========

.. index:: replicate

.. automodule:: streamm.util.replicate
   :members:
   :show-inheritance: