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 |
|---|---|---|
| lammps-stable_12Dec2018.tar.gz | 0114623125 109 MB | |
|
lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812 |
0054374284 51.9 MB | |
| lammps.changes | 0000008505 8.31 KB | |
| lammps.spec | 0000007055 6.89 KB |
Revision 11 (latest revision is 23)
Dominique Leuenberger (dimstar_suse)
accepted
request 657604
from
Christoph Junghans (cjunghans)
(revision 11)
- bump version to 20181212 (stable)
* general:
+ major improvements to building LAMMPS with CMake.
+ significant consolidation and improved consistency of the manual after the refactoring for the last stable release
+ reduced risk of memory/buffer overflows by replacing most uses of sprintf() by snprintf()
* new packages
+ USER-PLUMED package with a native interface (no more patching)
+ USER-SDPD package for smoothed dissipative particle dynamics (SDPD)
+ USER-PTM package for polyhedral template matching analysis to characterize local structure
+ new kspace style scafacos, which interfaces to the ScaFaCoS library of long-range coulomb solvers.
* updates for packages:
+ USER-COLVARS: updates and bugfixes
+ REPLICA: added support for (local and global) hyperdynamics
+ KOKKOS: updated Kokkos library, added several KOKKOS versions of styles from the GRANULAR package
+ USER-INTEL: updates, bugfixes and improved support for using
+ USER-MISC: new styles, compute pressure/cylinder, fix ffl (fast forward langevin), bugfixes and improvements
+ Many small bugfixes, corrections for memory leaks and memory management inconsistencies and general improvements.
* Backward compatibility notices:
+ the command line flags -restart and -r are no longer available.
+ the naming conventions for the group name of groups maintained by fix bond/react have changed.
+ pair styles in the USER-SPH package no longer support Pair::single().
+ the meaning of the sign of mu in fix atom/swap has been reversed to be consistent with usual conventions.
+ the default installation prefix for CMake based compilation has been changed from /usr/local to $HOME/.local
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