.. index:: pair: namespace; rgpot::uma
.. _doxid-namespacergpot_1_1uma:

namespace rgpot::uma
====================

.. toctree::
	:hidden:

Overview
~~~~~~~~




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

	
	namespace uma {

	// global functions

	std::array<double, 9> :ref:`molecularFrame<doxid-_molecular_frame_8hpp_1ac7bb5b60b59d346f348200abfe4f4252>`(std::span<double> positions, double length);

	} // namespace uma
.. _details-namespacergpot_1_1uma:

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



Global Functions
----------------

.. index:: pair: function; molecularFrame
.. _doxid-_molecular_frame_8hpp_1ac7bb5b60b59d346f348200abfe4f4252:

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

	std::array<double, 9> molecularFrame(std::span<double> positions, double length)

Centre molecular inputs at zero before conversion to model precision.