.. index:: pair: struct; rgpot::ForceOut
.. _doxid-structrgpot_1_1_force_out:

struct rgpot::ForceOut
======================

.. toctree::
	:hidden:

Overview
~~~~~~~~

Data structure to store results from force calculations. :ref:`More...<details-structrgpot_1_1_force_out>`


.. ref-code-block:: cpp
	:class: doxyrest-overview-code-block

	#include <ForceStructs.hpp>
	
	struct ForceOut {
		// fields
	
		double* :ref:`F<doxid-structrgpot_1_1_force_out_1a03bdf12293973065de4a7bb2f294e2a9>`;
		double :ref:`energy<doxid-structrgpot_1_1_force_out_1a7a5b68cc41c5f9f94630ad6c6be97310>`;
		double :ref:`variance<doxid-structrgpot_1_1_force_out_1a17ddcb4c12c62f03ef1e03583abb08f0>`;
	};
.. _details-structrgpot_1_1_force_out:

Detailed Documentation
~~~~~~~~~~~~~~~~~~~~~~

Data structure to store results from force calculations.

Fields
------

.. index:: pair: variable; F
.. _doxid-structrgpot_1_1_force_out_1a03bdf12293973065de4a7bb2f294e2a9:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	double* F

Pointer to the array where forces will be stored.

.. index:: pair: variable; energy
.. _doxid-structrgpot_1_1_force_out_1a7a5b68cc41c5f9f94630ad6c6be97310:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	double energy

Calculated potential energy of the configuration.

.. index:: pair: variable; variance
.. _doxid-structrgpot_1_1_force_out_1a17ddcb4c12c62f03ef1e03583abb08f0:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	double variance

Variance or uncertainty of the calculation.