| <?xml version="1.0" encoding="UTF-8"?> |
| <!DOCTYPE pkgmetadata SYSTEM "http://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> |
| </use> |
| <herd>sci-physics</herd> |
| <maintainer> |
| <email>nicolasbock@gentoo.org</email> |
| <name>Nicolas Bock</name> |
| </maintainer> |
| </pkgmetadata> |