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<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<longdescription lang="en">
LAMMPS is a classical molecular dynamics code, and an acronym for
Large-scale Atomic/Molecular Massively Parallel Simulator.
LAMMPS has potentials for soft materials (biomolecules, polymers) and
solid-state materials (metals, semiconductors) and coarse-grained or
mesoscopic systems. It can be used to model atoms or, more generically,
as a parallel particle simulator at the atomic, meso, or continuum
scale.
LAMMPS runs on single processors or in parallel using message-passing
techniques and a spatial-decomposition of the simulation domain. The
code is designed to be easy to modify or extend with new functionality.
</longdescription>
<use>
<flag name="lammps-memalign">Enables the use of the posix_memalign()
call instead of malloc() when large chunks or memory are allocated
by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
<flag name="hip">Enable hip gpu computing support</flag>
<flag name="extra">Additional compute, dump, fix, molecular, pair styles</flag>
<!--<flag name="kokkos">Enable kokkos non-bonded kernels</flag>-->
</use>
<maintainer type="person">
<email>nicolasbock@gentoo.org</email>
<name>Nicolas Bock</name>
</maintainer>
<maintainer type="project">
<email>sci-physics@gentoo.org</email>
<name>Gentoo Physics Project</name>
</maintainer>
<upstream>
<remote-id type="github">lammps/lammps</remote-id>
</upstream>
</pkgmetadata>
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