forked from lijiext/lammps
57 lines
1.3 KiB
Plaintext
57 lines
1.3 KiB
Plaintext
.. index:: dihedral_style zero
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dihedral_style zero command
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===========================
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Syntax
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""""""
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.. parsed-literal::
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dihedral_style zero *nocoeff*
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Examples
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""""""""
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.. parsed-literal::
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dihedral_style zero
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dihedral_style zero nocoeff
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dihedral_coeff *
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Description
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"""""""""""
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Using a dihedral style of zero means dihedral forces and energies are
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not computed, but the geometry of dihedral quadruplets is still
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accessible to other commands.
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As an example, the :doc:`compute dihedral/local <compute_dihedral_local>` command can be used to
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compute the theta values for the list of quadruplets of dihedral 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 dihedral 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 DihedralCoeff
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section for any dihedral style. Similarly, any dihedral_coeff commands
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will only be checked for the dihedral type number and the rest ignored.
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Note that the :doc:`dihedral_coeff <dihedral_coeff>` command must be
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used for all dihedral 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:** none
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:doc:`dihedral_style none <dihedral_none>`
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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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