.. index:: pair: namespace; vesin::cpu
.. _doxid-namespacevesin_1_1cpu:

namespace vesin::cpu
====================

.. toctree::
	:hidden:

Overview
~~~~~~~~




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

	
	namespace cpu {

	// global functions

	double :ref:`visit_round<doxid-vesin__visit_8hpp_1a8023db2860bd5f16e17a286d0636c88d>`(double t);

	template <typename Visitor>
	void :ref:`brute_force_visit<doxid-vesin__visit_8hpp_1aa54c382d063fd7778805e747c3864fa5>`(const double* points, std::size_t n, const double w[3], const double inv[3], double list_cutoff2, double visit_cutoff2, std::vector<int32_t>& pairs, Visitor&& visit);

	template <typename Visitor>
	void :ref:`brute_force_visit_only<doxid-vesin__visit_8hpp_1a14136d6c144a04597ab39d085b6f4206>`(const double* points, std::size_t n, const double w[3], const double inv[3], double visit_cutoff2, Visitor&& visit);

	} // namespace cpu
.. _details-namespacevesin_1_1cpu:

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



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

.. index:: pair: function; visit_round
.. _doxid-vesin__visit_8hpp_1a8023db2860bd5f16e17a286d0636c88d:

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

	double visit_round(double t)

Round to nearest via truncate-cast: no libm floor call on -march targets without roundsd. Half-integer inputs round away from zero.

.. index:: pair: function; brute_force_visit
.. _doxid-vesin__visit_8hpp_1aa54c382d063fd7778805e747c3864fa5:

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

	template <typename Visitor>
	void brute_force_visit(const double* points, std::size_t n, const double w[3], const double inv[3], double list_cutoff2, double visit_cutoff2, std::vector<int32_t>& pairs, Visitor&& visit)

Scan all i < j pairs of ``points`` (interleaved x,y,z, ``n`` atoms), folding each dimension by width ``w[k]`` when ``inv[k] = 1/w[k]`` is nonzero (``inv[k] == 0`` disables the fold for that dimension).

Pairs with ``r2 < list_cutoff2`` append (i, j) to ``pairs`` (flat int32, cleared first); pairs with ``r2 <= visit_cutoff2`` additionally invoke ``visit(i, j, dx, dy, dz, r2)`` with the folded ``r_j - r_i`` vector. Pass a negative ``visit_cutoff2`` for a collect-only scan.

.. index:: pair: function; brute_force_visit_only
.. _doxid-vesin__visit_8hpp_1a14136d6c144a04597ab39d085b6f4206:

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

	template <typename Visitor>
	void brute_force_visit_only(const double* points, std::size_t n, const double w[3], const double inv[3], double visit_cutoff2, Visitor&& visit)

Evaluation-only variant: same scan and fold, no pair collection. Serves first-sighting evaluations where list capture would be paid for nothing.