minimage 0.1.4

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<section id="outline-container-org47d7a02" class="outline-2">
<h2 id="org47d7a02">Embed from C</h2>
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<pre class="src src-c">#include "minimage.h"

mi_cell box = mi_cell_ortho(10.0, 10.0, 10.0);
const double p[3] = {0.2, 0.0, 0.0};
const double q[3] = {9.4, 0.0, 0.0};
double d2 = 0.0;
if (mi_dist2(&amp;box, p, q, &amp;d2) != 0) {
    fprintf(stderr, "%s\n", mi_last_error());
}
</pre>
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<p>
Link <code>libminimage</code> and add <code>include/</code> to the include path. Meson
exposes <code>minimage_dep</code>. CMake exposes <code>minimage::minimage</code>.
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<h2 id="orgfb381bc">Embed from C++</h2>
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<pre class="src src-cpp">#include "minimage.hpp"

const minimage::Cell box = minimage::Cell::ortho(10.0, 10.0, 10.0);
const double d2 = box.dist2({0.2, 0.0, 0.0}, {9.4, 0.0, 0.0});
</pre>
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<p>
The header is a RAII wrap of <code>minimage.h</code>. Failures throw
<code>minimage::Error</code>.
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<h2 id="org7f76993">Embed from Python</h2>
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<pre class="src src-python">import minimage

cell = minimage.Cell.ortho(10.0, 10.0, 10.0)
print(cell.dist2([0.2, 0.0, 0.0], [9.4, 0.0, 0.0]))

d2 = cell.dist2_pairs(ps, qs)        # (n, 3) arrays in, numpy out
f = cell.fixed_many(positions)       # uint64 (n, 3)
d2 = cell.dist2_pairs_fixed(f[i], f[j])
</pre>
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<p>
Array arguments go through DLPack: numpy, PyTorch, JAX, and CuPy host
arrays are read in place, and the result is a numpy array that owns
its buffer. A list in gives a list out. A device array raises; move it
to the host, or run the wrap on the device with <code>minimage-burn</code>.
</p>
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<h2 id="orgafe3f95">Run on a GPU with Burn</h2>
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<p>
<code>burn/</code> is the <code>minimage-burn</code> crate, outside the workspace because
Burn needs Rust 1.95. Enable the backend features you need (<code>wgpu</code>,
<code>vulkan</code>, <code>metal</code>, <code>cuda</code>, <code>rocm</code>, <code>cpu</code>, <code>flex</code>, <code>fusion</code>).
</p>

<div class="org-src-container">
<pre class="src src-rust">use burn_tensor::{DType, Device, DeviceKind};
use minimage_burn::{to_vec, Lattice};

let device = Device::wgpu(DeviceKind::DefaultDevice);
let lat = Lattice::new(&amp;cell, &amp;device, DType::F32);
let sp = lat.fractions(&amp;cell, &amp;ps);
let sq = lat.fractions(&amp;cell, &amp;qs);
let d2 = to_vec(lat.dist2_pairs_fractional(sp, sq));
</pre>
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<p>
<code>fractions</code> folds on the CPU in double precision and uploads; the wrap
on the device is then exact in single or half precision.
<code>dist2_pairs</code>, <code>dist2_many</code>, and <code>wrap</code> take Cartesian rows instead.
</p>
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</section>

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<h2 id="org512ef66">pkg-config</h2>
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<pre class="src src-text">pkg-config --cflags --libs minimage
</pre>
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<p>
Meson and CMake both write <code>minimage.pc</code>. <code>Libs</code> includes <code>-L${libdir}</code>
so a wrap consumer can find <code>-lminimage</code>.
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