63 lines
1.8 KiB
ReStructuredText
63 lines
1.8 KiB
ReStructuredText
.. index:: fix nve/tri
|
|
|
|
fix nve/tri command
|
|
===================
|
|
|
|
Syntax
|
|
""""""
|
|
|
|
.. code-block:: LAMMPS
|
|
|
|
fix ID group-ID nve/tri
|
|
|
|
* ID, group-ID are documented in :doc:`fix <fix>` command
|
|
* nve/tri = style name of this fix command
|
|
|
|
Examples
|
|
""""""""
|
|
|
|
.. code-block:: LAMMPS
|
|
|
|
fix 1 all nve/tri
|
|
|
|
Description
|
|
"""""""""""
|
|
|
|
Perform constant NVE integration to update position, velocity,
|
|
orientation, and angular momentum for triangular particles in the
|
|
group each timestep. V is volume; E is energy. This creates a system
|
|
trajectory consistent with the microcanonical ensemble. See the
|
|
:doc:`Howto spherical <Howto_spherical>` page for an overview of
|
|
using triangular 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 :doc:`output commands <Howto_output>`.
|
|
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 ASPHERE package. It is only enabled if LAMMPS
|
|
was built with that package. See the :doc:`Build package <Build_package>` page for more info.
|
|
|
|
This fix requires that particles be triangles as defined by the
|
|
:doc:`atom_style tri <atom_style>` command.
|
|
|
|
Related commands
|
|
""""""""""""""""
|
|
|
|
:doc:`fix nve <fix_nve>`, :doc:`fix nve/asphere <fix_nve_asphere>`
|
|
|
|
Default
|
|
"""""""
|
|
|
|
none
|