.. index:: pair: namespace; rgpot_cuh2_capi
.. _doxid-namespacergpot__cuh2__capi:

namespace rgpot_cuh2_capi
=========================

.. toctree::
	:hidden:

Overview
~~~~~~~~

C entry point for the CuH2 embedded-atom potential. :ref:`More...<details-namespacergpot__cuh2__capi>`


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

	
	namespace rgpot_cuh2_capi {

	// global functions

	integer(c_int) function, public :ref:`rgpot_cuh2_force<doxid-namespacergpot__cuh2__capi_1a7d2021b2b80a60761fa3dc5e1c33c631>`(integer(c_int), intent(in), value natoms, real(c_double), dimension(3, natoms), intent(in) positions, integer(c_int), dimension(natoms), intent(in) atomic_numbers, real(c_double), dimension(3, 3), intent(in) cell, real(c_double), dimension(3, natoms), intent(out) forces, real(c_double), intent(out) energy);

	} // namespace rgpot_cuh2_capi
.. _details-namespacergpot__cuh2__capi:

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

C entry point for the CuH2 embedded-atom potential.

Only ``bind(c)`` names leave this library; the physics module exports no external symbols of its own that C could collide with. The neighbour table lives here, saved across calls so vesin reuses its buffers.

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

.. index:: pair: function; rgpot_cuh2_force
.. _doxid-namespacergpot__cuh2__capi_1a7d2021b2b80a60761fa3dc5e1c33c631:

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

	integer(c_int) function, public rgpot_cuh2_force(integer(c_int), intent(in), value natoms, real(c_double), dimension(3, natoms), intent(in) positions, integer(c_int), dimension(natoms), intent(in) atomic_numbers, real(c_double), dimension(3, 3), intent(in) cell, real(c_double), dimension(3, natoms), intent(out) forces, real(c_double), intent(out) energy)

Evaluate CuH2 forces and energy.

``positions`` and ``forces`` are ``3 * natoms`` doubles, x/y/z interleaved; ``atomic_numbers`` holds one atomic number per atom, 29 for Cu and 1 for H, in any order; ``cell`` is nine doubles, row-major, one cell vector per row. Returns zero on success, non-zero on failure with the message available through ``rgpot_fortran_last_error``.