.. index:: pair: struct; rgpot::ForceInput
.. _doxid-structrgpot_1_1_force_input:

struct rgpot::ForceInput
========================

.. toctree::
	:hidden:

Overview
~~~~~~~~

Data structure containing input configuration for force calls. :ref:`More...<details-structrgpot_1_1_force_input>`


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

	#include <ForceStructs.hpp>
	
	struct ForceInput {
		// fields
	
		const size_t :ref:`nAtoms<doxid-structrgpot_1_1_force_input_1a694e8fb21116f73dd8deaf65499068aa>`;
		const double* :ref:`pos<doxid-structrgpot_1_1_force_input_1aa5c03c5f4993486f01466ee389957afb>`;
		const int* :ref:`atmnrs<doxid-structrgpot_1_1_force_input_1ad1a11aee58dd6febe10761256ed609e3>`;
		const double* :ref:`box<doxid-structrgpot_1_1_force_input_1af3bb99753f39a38ac90a4713d35e9bb4>`;
	};
.. _details-structrgpot_1_1_force_input:

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

Data structure containing input configuration for force calls.

Fields
------

.. index:: pair: variable; nAtoms
.. _doxid-structrgpot_1_1_force_input_1a694e8fb21116f73dd8deaf65499068aa:

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

	const size_t nAtoms

Total number of atoms in the system.

.. index:: pair: variable; pos
.. _doxid-structrgpot_1_1_force_input_1aa5c03c5f4993486f01466ee389957afb:

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

	const double* pos

Pointer to the flat array of atomic positions.

.. index:: pair: variable; atmnrs
.. _doxid-structrgpot_1_1_force_input_1ad1a11aee58dd6febe10761256ed609e3:

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

	const int* atmnrs

Pointer to the array of atomic numbers.

.. index:: pair: variable; box
.. _doxid-structrgpot_1_1_force_input_1af3bb99753f39a38ac90a4713d35e9bb4:

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

	const double* box

Pointer to the 3x3 simulation cell matrix.