57 lines
1.6 KiB
ReStructuredText
57 lines
1.6 KiB
ReStructuredText
.. index:: fix nve/eff
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fix nve/eff 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/eff
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* nve/eff = 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/eff
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Description
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"""""""""""
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Perform constant NVE integration to update position and velocity for
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nuclei and electrons in the group for the :doc:`electron force field <pair_eff>` model. V is volume; E is energy. This creates a
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system trajectory consistent with the microcanonical ensemble.
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The operation of this fix is exactly like that described by the :doc:`fix nve <fix_nve>` command, except that the radius and radial velocity
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of electrons are also updated.
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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 EFF package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` page for more info.
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Related commands
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""""""""""""""""
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:doc:`fix nve <fix_nve>`, :doc:`fix nvt/eff <fix_nh_eff>`, :doc:`fix npt/eff <fix_nh_eff>`
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Default
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"""""""
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none
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