ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update overview text

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-08-24 23:02:49 -04:00
parent d34083dd54
commit e4e08972f8
1 changed files with 13 additions and 10 deletions
Download Patch File Download Diff File Expand all files Collapse all files

23
doc/src/Intro_overview.rst
View File

@ -10,24 +10,26 @@ conditions. It can model 2d or 3d systems with only a few particles
up to millions or billions.
LAMMPS can be built and run on a laptop or desktop machine, but is
designed for parallel computers. It will run on any parallel machine
that supports the `MPI <mpi_>`_ message-passing library. This includes
shared-memory boxes and distributed-memory clusters and
supercomputers.
designed for parallel computers. It will run in serial and on any
parallel machine that supports the `MPI <mpi_>`_ message-passing
library. This includes shared-memory boxes and distributed-memory
clusters and supercomputers. Parts of LAMMPS also support
`OpenMP multi-threading <omp_>`_, vectorization and GPU acceleration.
.. _mpi: https://en.wikipedia.org/wiki/Message_Passing_Interface
.. _lws: https://www.lammps.org
.. _omp: https://www.openmp.org
LAMMPS is written in C++ and requires a compiler that is at least
compatible with the C++-11 standard. Earlier versions were written in
F77, F90, and C++-98. See the `History page
<https://www.lammps.org/history.html>`_ of the website for details. All
versions can be downloaded from the `LAMMPS website <lws_>`_.
versions can be downloaded as source code from the `LAMMPS website
<lws_>`_.
LAMMPS is designed to be easy to modify or extend with new
capabilities, such as new force fields, atom types, boundary
conditions, or diagnostics. See the :doc:`Modify <Modify>` page for
more details.
LAMMPS is designed to be easy to modify or extend with new capabilities,
such as new force fields, atom types, boundary conditions, or
diagnostics. See the :doc:`Modify <Modify>` page for more details.
In the most general sense, LAMMPS integrates Newton's equations of
motion for a collection of interacting particles. A single particle
@ -47,4 +49,5 @@ MPI parallelization to partition the simulation domain into small
sub-domains of equal computational cost, one of which is assigned to
each processor. Processors communicate and store "ghost" atom
information for atoms that border their sub-domain. Multi-threading
parallelization with with particle-decomposition can be used in addition.
parallelization and GPU acceleration with with particle-decomposition
can be used in addition.