.. index:: fix nve

fix nve command
===============

fix nve/intel command
=====================

fix nve/kk command
==================

fix nve/omp command
===================

Syntax
""""""

.. parsed-literal::

   fix ID group-ID nve

* ID, group-ID are documented in :doc:`fix <fix>` command
* nve = style name of this fix command

Examples
""""""""

.. parsed-literal::

   fix 1 all nve

Description
"""""""""""

Perform constant NVE integration to update position and velocity for
atoms in the group each timestep.  V is volume; E is energy.  This
creates a system trajectory consistent with the microcanonical
ensemble.


----------


Styles with a *gpu*\ , *intel*\ , *kk*\ , *omp*\ , or *opt* suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed in :doc:`Section_accelerate <Section_accelerate>`
of the manual.  The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.

These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
USER-OMP and OPT packages, respectively.  They are only enabled if
LAMMPS was built with those packages.  See the :ref:`Making LAMMPS <start_3>` section for more info.

You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the :ref:`-suffix command-line switch <start_7>` when you invoke LAMMPS, or you can
use the :doc:`suffix <suffix>` command in your input script.

See :doc:`Section_accelerate <Section_accelerate>` of the manual for
more instructions on how to use the accelerated styles effectively.


----------


Restart, fix_modify, output, run start/stop, minimize info
""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

No information about this fix is written to :doc:`binary restart files <restart>`.  None of the :doc:`fix_modify <fix_modify>` options
are relevant to this fix.  No global or per-atom quantities are stored
by this fix for access by various :ref:`output commands <howto_15>`.  No parameter of this fix can
be used with the *start/stop* keywords of the :doc:`run <run>` command.
This fix is not invoked during :doc:`energy minimization <minimize>`.

Restrictions
""""""""""""
 none

Related commands
""""""""""""""""

:doc:`fix nvt <fix_nh>`, :doc:`fix npt <fix_nh>`

**Default:** none


.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm