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Luthaf · Jan 30, 2025 · 07954d5 · 07954d5
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diff --git a/.nojekyll b/.nojekyll
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+<!DOCTYPE html>
+<html>
+  <head>
+    <meta charset="utf-8" />
+    <meta http-equiv="X-UA-Compatible" content="IE=edge,chrome=1" />
+    <meta http-equiv="refresh" content="0;URL=latest/index.html" />
+  </head>
+  <body></body>
+</html>
diff --git a/latest/.buildinfo b/latest/.buildinfo
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+# Sphinx build info version 1
+# This file records the configuration used when building these files. When it is not found, a full rebuild will be done.
+config: d086f4d8261641eaa8c68feafd9cfc77
+tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/latest/_images/Arpitan.png b/latest/_images/Arpitan.png
diff --git a/latest/_images/Catalan.png b/latest/_images/Catalan.png
diff --git a/latest/_images/Lombardy.png b/latest/_images/Lombardy.png
diff --git a/latest/_images/Occitan.png b/latest/_images/Occitan.png
diff --git a/latest/_images/benchmark.png b/latest/_images/benchmark.png
diff --git a/latest/_sources/benchmarks.rst.txt b/latest/_sources/benchmarks.rst.txt
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+.. _benchmarks:
+
+Benchmarks
+==========
+
+Here are the result of a benchmark of multiple neighbor list implementations.
+The benchmark runs on multiple super-cell of diamond carbon, up to 30'000 atoms,
+with multiple cutoffs, and using either CPU or CUDA hardware.
+
+The results below are for an AMD 3955WX CPU and an NVIDIA 4070 Ti SUPER GPU; if
+you want to run it on your own system, the corresponding script is in vesin's
+`GitHub repository <bench-script_>`_.
+
+.. _bench-script: https://github.com/Luthaf/vesin/blob/main/benchmarks/benchmark.py
+
+.. figure:: benchmark.png
+    :align: center
+
+    Speed comparison between multiple neighbor list implementations: vesin, `ase
+    <https://wiki.fysik.dtu.dk/ase/ase/neighborlist.html>`_, `matscipy
+    <http://libatoms.github.io/matscipy/tools/neighbour_list.html>`_, `pymatgen
+    <https://pymatgen.org/pymatgen.core.html#pymatgen.core.structure.IStructure.get_neighbor_list>`_,
+    `torch_nl <https://github.com/felixmusil/torch_nl/>`_, and `NNPOps
+    <https://github.com/openmm/NNPOps/>`_.
+
+    Missing points indicate that a specific code could not run the calculation
+    (for example, NNPOps requires the cell to be twice the cutoff in size, and
+    can't run with large cutoffs and small cells).
diff --git a/latest/_sources/c-api.rst.txt b/latest/_sources/c-api.rst.txt
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+.. _c-api:
+
+C API reference
+===============
+
+Vesin's C API is defined in the ``vesin.h`` header. The main function is
+:c:func:`vesin_neighbors`, which runs a neighbors list calculation.
+
+.. doxygenfunction:: vesin_neighbors
+
+.. doxygenfunction:: vesin_free
+
+.. doxygenstruct:: VesinNeighborList
+
+.. doxygenstruct:: VesinOptions
+
+.. doxygenenum:: VesinDevice