70 lines
1.7 KiB
ReStructuredText
70 lines
1.7 KiB
ReStructuredText
.. index:: fix nve
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.. index:: fix nve/gpu
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.. index:: fix nve/intel
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.. index:: fix nve/kk
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.. index:: fix nve/omp
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fix nve command
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===============
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Accelerator Variants: *nve/gpu*, *nve/intel*, *nve/kk*, *nve/omp*
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Syntax
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""""""
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.. code-block:: LAMMPS
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fix ID group-ID nve
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* nve = 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
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Description
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"""""""""""
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Perform plain time integration to update position and velocity for
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atoms in the group each timestep. This creates a system trajectory
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consistent with the microcanonical ensemble (NVE) provided there
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are (full) periodic boundary conditions and no other "manipulations"
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of the system (e.g. fixes that modify forces or velocities).
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This fix invokes the velocity form of the
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Stoermer-Verlet time integration algorithm (velocity-Verlet). Other
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time integration options can be invoked using the :doc:`run_style <run_style>` command.
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----------
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.. include:: accel_styles.rst
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----------
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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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none
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Related commands
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""""""""""""""""
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:doc:`fix nvt <fix_nh>`, :doc:`fix npt <fix_nh>`, :doc:`run_style <run_style>`
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Default
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"""""""
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none
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