1 <?xml version="1.0" encoding="UTF-8"?>
2 <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
4 <longdescription lang="en">
5 LAMMPS is a classical molecular dynamics code, and an acronym for
6 Large-scale Atomic/Molecular Massively Parallel Simulator.
8 LAMMPS has potentials for soft materials (biomolecules, polymers) and
9 solid-state materials (metals, semiconductors) and coarse-grained or
10 mesoscopic systems. It can be used to model atoms or, more generically,
11 as a parallel particle simulator at the atomic, meso, or continuum
14 LAMMPS runs on single processors or in parallel using message-passing
15 techniques and a spatial-decomposition of the simulation domain. The
16 code is designed to be easy to modify or extend with new functionality.
19 <flag name="lammps-memalign">Enables the use of the posix_memalign()
20 call instead of malloc() when large chunks or memory are allocated
21 by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
23 <maintainer type="person">
24 <email>nicolasbock@gentoo.org</email>
25 <name>Nicolas Bock</name>
27 <maintainer type="project">
28 <email>sci-physics@gentoo.org</email>
29 <name>Gentoo Physics Project</name>