66 lines
1.9 KiB
ReStructuredText
66 lines
1.9 KiB
ReStructuredText
.. index:: fix nve/body
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fix nve/body command
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====================
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Syntax
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""""""
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.. parsed-literal::
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fix ID group-ID nve/body
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* nve/body = style name of this fix command
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix 1 all nve/body
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Description
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"""""""""""
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Perform constant NVE integration to update position, velocity,
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orientation, and angular velocity for body particles in the group each
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timestep. V is volume; E is energy. This creates a system trajectory
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consistent with the microcanonical ensemble. See the :doc:`Howto body <Howto_body>` doc page for more details on using body
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particles.
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This fix differs from the :doc:`fix nve <fix_nve>` command, which
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assumes point particles and only updates their position and velocity.
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Restart, fix_modify, output, run start/stop, minimize info
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"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
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No information about this fix is written to :doc:`binary restart files <restart>`. None of the :doc:`fix_modify <fix_modify>` options
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are relevant to this fix. No global or per-atom quantities are stored
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by this fix for access by various :doc:`output commands <Howto_output>`.
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No parameter of this fix can be used with the *start/stop* keywords of
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the :doc:`run <run>` command. This fix is not invoked during :doc:`energy minimization <minimize>`.
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Restrictions
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""""""""""""
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This fix is part of the BODY package. It is only enabled if LAMMPS
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was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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This fix requires that atoms store torque and angular momentum and a
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quaternion as defined by the :doc:`atom_style body <atom_style>`
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command.
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All particles in the group must be body particles. They cannot be
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point particles.
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Related commands
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""""""""""""""""
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:doc:`fix nve <fix_nve>`, :doc:`fix nve/sphere <fix_nve_sphere>`, :doc:`fix nve/asphere <fix_nve_asphere>`
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Default
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"""""""
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none
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