Machine-Learning Interatomic Potential Manager
##############################################

.. module:: mlacs.mlip

.. index::
   single: Class reference; MlipManager

Compute descriptors
*******************

Descriptor
~~~~~~~~~~

.. autoclass:: Descriptor

SumDescriptor
~~~~~~~~~~~~~

.. autoclass:: SumDescriptor

SnapDescriptor
~~~~~~~~~~~~~~

.. autoclass:: SnapDescriptor

MliapDescriptor
~~~~~~~~~~~~~~~

.. autoclass:: MliapDescriptor

AceDescriptor
~~~~~~~~~~~~~

.. autoclass:: AceDescriptor

Add a weighting policy
**********************

FixedWeight
~~~~~~~~~~~

.. autoclass:: FixedWeight

EnergyBasedWeight
~~~~~~~~~~~~~~~~~

.. autoclass:: EnergyBasedWeight

UniformWeight
~~~~~~~~~~~~~

.. autoclass:: UniformWeight

IncreasingWeight
~~~~~~~~~~~~~~~~

.. autoclass:: IncreasingWeight

MbarManager
~~~~~~~~~~~

.. autoclass:: MbarManager

Fitting model
*************

MlipManager
~~~~~~~~~~~

.. autoclass:: MlipManager

LinearPotential
~~~~~~~~~~~~~~~

.. autoclass:: LinearPotential

MomentTensorPotential
~~~~~~~~~~~~~~~~~~~~~

.. autoclass:: MomentTensorPotential

TensorpotPotential
~~~~~~~~~~~~~~~~~~

.. autoclass:: TensorpotPotential

DeltaLearningPotential
~~~~~~~~~~~~~~~~~~~~~~

.. autoclass:: DeltaLearningPotential

MlipCalculator
**************

.. module:: mlacs.mlip.calculator
.. autoclass:: MlipCalculator