forked from lijiext/lammps
69 lines
2.0 KiB
Plaintext
69 lines
2.0 KiB
Plaintext
.. 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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.. parsed-literal::
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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 :ref:`Section_howto 14 <howto_14>` of the manual and the :doc:`body <body>`
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doc page for more details on using body 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 :ref:`output commands <howto_15>`. No parameter of this fix can
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be used with the *start/stop* keywords of the :doc:`run <run>` command.
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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 :ref:`Making LAMMPS <start_3>` section for more info.
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This fix requires that atoms store torque and angular momementum 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:** none
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Section_commands.html#comm
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