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13. Future and history :h3

This section lists features we plan to add to LAMMPS, features of
previous versions of LAMMPS, and features of other parallel molecular
dynamics codes our group has distributed.

13.1 "Coming attractions"_#hist_1
13.2 "Past versions"_#hist_2 :all(b)

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13.1 Coming attractions :h4,link(hist_1)

As of summer 2016 we are using the "LAMMPS project issue tracker
on GitHub"_https://github.com/lammps/lammps/issues for keeping
track of suggested, planned or pending new features. This includes
discussions of how to best implement them, or why they would be
useful. Especially if a planned or proposed feature is non-trivial
to add, e.g. because it requires changes to some of the core
classes of LAMMPS, people planning to contribute a new feature to
LAMMS are encouraged to submit an issue about their planned
implementation this way in order to receive feedback from the
LAMMPS core developers. They will provide suggestions about
the validity of the proposed approach and possible improvements,
pitfalls or alternatives.

Please see some of the closed issues for examples of how to
suggest code enhancements, submit proposed changes, or report
possible bugs and how they are resolved.

As an alternative to using GitHub, you may e-mail the
"core developers"_http://lammps.sandia.gov/authors.html or send
an e-mail to the "LAMMPS Mail list"_http://lammps.sandia.gov/mail.html
if you want to have your suggestion added to the list.

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13.2 Past versions :h4,link(hist_2)

LAMMPS development began in the mid 1990s under a cooperative research
& development agreement (CRADA) between two DOE labs (Sandia and LLNL)
and 3 companies (Cray, Bristol Myers Squibb, and Dupont). The goal was
to develop a large-scale parallel classical MD code; the coding effort
was led by Steve Plimpton at Sandia.

After the CRADA ended, a final F77 version, LAMMPS 99, was
released. As development of LAMMPS continued at Sandia, its memory
management was converted to F90; a final F90 version was released as
LAMMPS 2001.

The current LAMMPS is a rewrite in C++ and was first publicly released
as an open source code in 2004. It includes many new features beyond
those in LAMMPS 99 or 2001. It also includes features from older
parallel MD codes written at Sandia, namely ParaDyn, Warp, and
GranFlow (see below).

In late 2006 we began merging new capabilities into LAMMPS that were
developed by Aidan Thompson at Sandia for his MD code GRASP, which has
a parallel framework similar to LAMMPS. Most notably, these have
included many-body potentials - Stillinger-Weber, Tersoff, ReaxFF -
and the associated charge-equilibration routines needed for ReaxFF.

The "History link"_http://lammps.sandia.gov/history.html on the
LAMMPS WWW page gives a timeline of features added to the
C++ open-source version of LAMMPS over the last several years.

These older codes are available for download from the "LAMMPS WWW
site"_lws, except for Warp & GranFlow which were primarily used
internally.  A brief listing of their features is given here.

LAMMPS 2001

    F90 + MPI
    dynamic memory
    spatial-decomposition parallelism
    NVE, NVT, NPT, NPH, rRESPA integrators
    LJ and Coulombic pairwise force fields
    all-atom, united-atom, bead-spring polymer force fields
    CHARMM-compatible force fields
    class 2 force fields
    3d/2d Ewald & PPPM
    various force and temperature constraints
    SHAKE
    Hessian-free truncated-Newton minimizer
    user-defined diagnostics :ul

LAMMPS 99

    F77 + MPI
    static memory allocation
    spatial-decomposition parallelism
    most of the LAMMPS 2001 features with a few exceptions
    no 2d Ewald & PPPM
    molecular force fields are missing a few CHARMM terms
    no SHAKE :ul

Warp

    F90 + MPI
    spatial-decomposition parallelism
    embedded atom method (EAM) metal potentials + LJ
    lattice and grain-boundary atom creation
    NVE, NVT integrators
    boundary conditions for applying shear stresses
    temperature controls for actively sheared systems
    per-atom energy and centro-symmetry computation and output :ul

ParaDyn

    F77 + MPI
    atom- and force-decomposition parallelism
    embedded atom method (EAM) metal potentials
    lattice atom creation
    NVE, NVT, NPT integrators
    all serial DYNAMO features for controls and constraints :ul

GranFlow

    F90 + MPI
    spatial-decomposition parallelism
    frictional granular potentials
    NVE integrator
    boundary conditions for granular flow and packing and walls
    particle insertion :ul