.. index:: pair: namespace; gpu
.. _doxid-namespacegpu:

namespace gpu
=============

.. toctree::
	:hidden:

	struct_gpu_BatchResult.rst
	struct_gpu_DeviceInfo.rst
	struct_gpu_Footprint.rst
	struct_gpu_Plan.rst

Overview
~~~~~~~~




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

	
	namespace gpu {

	// structs

	struct :ref:`BatchResult<doxid-structgpu_1_1_batch_result>`;
	struct :ref:`DeviceInfo<doxid-structgpu_1_1_device_info>`;
	struct :ref:`Footprint<doxid-structgpu_1_1_footprint>`;
	struct :ref:`Plan<doxid-structgpu_1_1_plan>`;

	// global functions

	:ref:`BatchResult<doxid-structgpu_1_1_batch_result>` :ref:`analyzeResident<doxid-namespacegpu_1a4dbfdd404bf0992c51a3b08d0a9f8c42>`(const double* xyz, const double* box, int nAtoms, int nFrames, double rc = 5.5, const double* boxLow = nullptr, int nBox = 3);
	:ref:`DeviceInfo<doxid-structgpu_1_1_device_info>` :target:`probeDevice<doxid-namespacegpu_1aa686ad342cce27d1a34ebd5ba5878f79>`();
	:ref:`Footprint<doxid-structgpu_1_1_footprint>` :target:`estimateFootprint<doxid-namespacegpu_1a5e96b0fb97bcce4c6cca5e5888bea7a6>`(int nAtoms, int nFrames, int kMax = 16, int maxSixRingsPerAtom = 16);
	int :target:`maxResidentFrames<doxid-namespacegpu_1a423e858b483752f380c8f4939a899e78>`(const :ref:`DeviceInfo<doxid-structgpu_1_1_device_info>`& dev, int nAtoms, int kMax = 16, int maxSixRingsPerAtom = 16, double safety = 0.80);
	:ref:`Plan<doxid-structgpu_1_1_plan>` :target:`planBatch<doxid-namespacegpu_1a36de5ad975f1dee03bd8b55ccd15a4c3>`(int nAtoms, int requestedFrames, int kMax = 16, int maxSixRingsPerAtom = 16, double safety = 0.80);

	} // namespace gpu
.. _details-namespacegpu:

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



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

.. index:: pair: function; analyzeResident
.. _doxid-namespacegpu_1a4dbfdd404bf0992c51a3b08d0a9f8c42:

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

	:ref:`BatchResult<doxid-structgpu_1_1_batch_result>` analyzeResident(const double* xyz, const double* box, int nAtoms, int nFrames, double rc = 5.5, const double* boxLow = nullptr, int nBox = 3)

xyz is frame-major, atom, xyz.

box is frame-major three lengths when boxLow is null and nBox is 3. When boxLow is set or nBox is at least 6, box is one dump box (3 spans or 6 span+tilt) shared by every frame and the device walk uses lammpsBoxToLinkcell. rc is the cell-list cutoff; 5.5 matches the host k-NN candidate shell.