59 lines
1.2 KiB
ReStructuredText
59 lines
1.2 KiB
ReStructuredText
.. index:: improper_style zero
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improper_style zero command
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===========================
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Syntax
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""""""
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.. code-block:: LAMMPS
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improper_style zero [nocoeff]
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Examples
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""""""""
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.. code-block:: LAMMPS
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improper_style zero
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improper_style zero nocoeff
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improper_coeff *
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Description
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"""""""""""
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Using an improper style of zero means improper forces and energies are
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not computed, but the geometry of improper quadruplets is still
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accessible to other commands.
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As an example, the :doc:`compute improper/local <compute_improper_local>` command can be used to
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compute the chi values for the list of quadruplets of improper atoms
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listed in the data file read by the :doc:`read_data <read_data>`
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command. If no improper style is defined, this command cannot be
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used.
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The optional *nocoeff* flag allows to read data files with a ImproperCoeff
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section for any improper style. Similarly, any improper_coeff commands
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will only be checked for the improper type number and the rest ignored.
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Note that the :doc:`improper_coeff <improper_coeff>` command must be
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used for all improper types, though no additional values are
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specified.
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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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none
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:doc:`improper_style none <improper_none>`
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Default
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"""""""
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none
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