Molecular Dynamics Simulator
http://lammps.sandia.gov
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.
- Developed at science
- Sources inherited from project openSUSE:Factory
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Source Files
| Filename | Size | Changed |
|---|---|---|
| _constraints | 0000000131 131 Bytes | |
| disable_noopt.patch | 0000001042 1.02 KB | |
| lammps-patch_5May2020.tar.gz | 0129538875 124 MB | |
| lammps-testing-patch_5May2020.tar.gz | 0055732643 53.2 MB | |
| lammps.changes | 0000019018 18.6 KB | |
| lammps.spec | 0000007912 7.73 KB |
Revision 16 (latest revision is 23)
Dominique Leuenberger (dimstar_suse)
accepted
request 805357
from
Christoph Junghans (cjunghans)
(revision 16)
- fix build on ppc64le by enabling gnu extensions, see
[gh#lammps/lammps#2079], this is a bug in older version of the
ocl package, compare [GCC#58241].
- gcc flags an issue on leap 15.1 that is a false positive, see
[gh#lammps/lammps#2078], so disabling lammps custom no optimzation
flags, using disable_noopt.patch
- bump version to 20200505 (patch)
- update of the bundled Kokkos library to version 3.1 (Stan
Moore and the Kokkos developers, SNL) [gh#lammps/lammps#2004],
[gh#lammps/lammps#2054]
- new Kokkos styles compute orientorder/atom and coord/atom and
some related bugfixes/improvements (Stan Moore, SNL)
[gh#lammps/lammps#1895], [gh#lammps/lammps#1902],
[gh#lammps/lammps#1906], [gh#lammps/lammps#2033]
- new fix accelerate/cos and compute viscosity/cos in USER-MISC
as yet another method to compute viscosity (Zheng Gong, École
normale supérieure de Lyon) [gh#lammps/lammps#2019]
- update of the polymorphic pair style with bug fixes and a new
feature (Xiaoweng Zhou, SNL) [gh#lammps/lammps#2000]
- added option to create a dummy fix as a placeholder early in
an input to guarantee placement at the top of the list of
fixes. (Steve Plimpton, SNL) [gh#lammps/lammps#1760]
- update to fix bond/react to allow using equal style variables
a probability input (Wolfgang Verestek, U Stuttgart)
[gh#lammps/lammps#2013]
- small update to internal commands in kim_interactions to
improve KIM simulator model handling (Ronald Miller Carleton
U, Ryan S. Elliott U Minn), [gh#lammps/lammps#2014]
- many small fixes and updates to source code (mainly for the
KOKKOS package), cmake scripts, and documentation to address
issues with recent changes and minor long-standing issues.
(multiple authors) [gh#lammps/lammps#2003],
[gh#lammps/lammps#2006], [gh#lammps/lammps#2010],
[gh#lammps/lammps#2015], [gh#lammps/lammps#2022],
[gh#lammps/lammps#2023], [gh#lammps/lammps#2026],
[gh#lammps/lammps#2027], [gh#lammps/lammps#2030],
[gh#lammps/lammps#2032], [gh#lammps/lammps#2035],
[gh#lammps/lammps#2036], [gh#lammps/lammps#2041],
[gh#lammps/lammps#2043], [gh#lammps/lammps#2044],
[gh#lammps/lammps#2045], [gh#lammps/lammps#2046],
[gh#lammps/lammps#2047], [gh#lammps/lammps#2048],
[gh#lammps/lammps#2049], [gh#lammps/lammps#2051],
[gh#lammps/lammps#2053], [gh#lammps/lammps#2055]
- enable kokkos and OpenMP
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