49 lines
964 B
ReStructuredText
49 lines
964 B
ReStructuredText
.. index:: write_coeff
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write_coeff 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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write_coeff file
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* file = name of data file to write out
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Examples
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""""""""
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.. code-block:: LAMMPS
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write_coeff polymer.coeff
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Description
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"""""""""""
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Write a text format file with the currently defined force field
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coefficients in a way, that it can be read by LAMMPS with the
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:doc:`include <include>` command. In combination with the nocoeff
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option of :doc:`write_data <write_data>` this can be used to move
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the Coeffs sections from a data file into a separate file.
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.. note::
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The write_coeff command is not yet fully implemented as
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some pair styles do not output their coefficient information.
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This means you will need to add/copy this information manually.
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----------
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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:`read_data <read_data>`, :doc:`write_restart <write_restart>`,
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:doc:`write_data <write_data>`
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