:py:mod:`ccs_ppmd`
==================

.. py:module:: ccs_ppmd


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

Classes
~~~~~~~

.. autoapisummary::

   ccs_ppmd.FIRE
   ccs_ppmd.CCS



Functions
~~~~~~~~~

.. autoapisummary::

   ccs_ppmd.steepest_descent
   ccs_ppmd.newtonic
   ccs_ppmd.optimize



Attributes
~~~~~~~~~~

.. autoapisummary::

   ccs_ppmd.PairLoop
   ccs_ppmd.ParticleLoop
   ccs_ppmd.State
   ccs_ppmd.PositionDat
   ccs_ppmd.ParticleDat
   ccs_ppmd.ScalarArray
   ccs_ppmd.Kernel
   ccs_ppmd.GlobalArray
   ccs_ppmd.Constant
   ccs_ppmd.IntegratorRange


.. py:data:: PairLoop

   

.. py:data:: ParticleLoop

   

.. py:data:: State

   

.. py:data:: PositionDat

   

.. py:data:: ParticleDat

   

.. py:data:: ScalarArray

   

.. py:data:: Kernel

   

.. py:data:: GlobalArray

   

.. py:data:: Constant

   

.. py:data:: IntegratorRange

   

.. py:function:: steepest_descent(A, constants)


.. py:function:: newtonic(A, constants)


.. py:class:: FIRE(A, CCS=None, dt_start=0.1, a_start=0.1, dt_max=1.0)

   .. py:method:: FIRE_LOOP_1(A)


   .. py:method:: FIRE_LOOP_2(A)


   .. py:method:: FIRE_LOOP_3(A)


   .. py:method:: FIRE_LOOP_4(A)


   .. py:method:: FIRE_LOOP_5(A)


   .. py:method:: opt(A, steps=10000, fmax=0.05)



.. py:class:: CCS(A, atoms, q=None, CCS_params='CCS_params.json')

   .. py:method:: eval(A, pos=None)



.. py:function:: optimize(A, atoms, CCS, Type='LBGS', Fmax=0.05)