Homec4science
Diffusion lammps (lammm-master) Browse

lammps/doc/_sources/fix_nve_body.txt
9cf43f2a0b7flammm-master

Last Change
Raw File

fix_nve_body.txt
View Options

.. index:: fix nve/body
fix nve/body command
====================
Syntax
""""""
.. parsed-literal::
fix ID group-ID nve/body
* ID, group-ID are documented in :doc:`fix <fix>` command
* nve/body = style name of this fix command
Examples
""""""""
.. parsed-literal::
fix 1 all nve/body
Description
"""""""""""
Perform constant NVE integration to update position, velocity,
orientation, and angular velocity for body particles in the group each
timestep. V is volume; E is energy. This creates a system trajectory
consistent with the microcanonical ensemble. See :ref:`Section_howto 14 <howto_14>` of the manual and the :doc:`body <body>`
doc page for more details on using body particles.
This fix differs from the :doc:`fix nve <fix_nve>` command, which
assumes point particles and only updates their position and velocity.
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
""""""""""""
This fix is part of the BODY package. It is only enabled if LAMMPS
was built with that package. See the :ref:`Making LAMMPS <start_3>` section for more info.
This fix requires that atoms store torque and angular momementum and a
quaternion as defined by the :doc:`atom_style body <atom_style>`
command.
All particles in the group must be body particles. They cannot be
point particles.
Related commands
""""""""""""""""
:doc:`fix nve <fix_nve>`, :doc:`fix nve/sphere <fix_nve_sphere>`, :doc:`fix nve/asphere <fix_nve_asphere>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm
c4science · Help