67 lines
1.5 KiB
ReStructuredText
67 lines
1.5 KiB
ReStructuredText
.. index:: compute nbond/atom
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compute nbond/atom 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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compute ID group-ID nbond/atom keyword value
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* ID, group-ID are documented in :doc:`compute <compute>` command
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* nbond/atom = style name of this compute command
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* zero or more keyword/value pairs may be appended
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* keyword = *bond/type*
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.. parsed-literal::
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*bond/type* value = *btype*
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*btype* = bond type included in count
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Examples
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""""""""
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.. code-block:: LAMMPS
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compute 1 all nbond/atom
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compute 1 all nbond/atom bond/type 2
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Description
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"""""""""""
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.. versionadded:: 4May2022
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Define a computation that computes the number of bonds each atom is
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part of. Bonds which are broken are not counted in the tally. See
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the :doc:`Howto broken bonds <Howto_bpm>` page for more information.
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The number of bonds will be zero for atoms not in the specified
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compute group. This compute does not depend on Newton bond settings.
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If the keyword *bond/type* is specified, only bonds of *btype* are
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counted.
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Output info
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"""""""""""
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This compute calculates a per-atom vector, which can be accessed by
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any command that uses per-atom values from a compute as input. See
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the :doc:`Howto output <Howto_output>` doc page for an overview of
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LAMMPS output options.
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Restrictions
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""""""""""""
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This compute is part of the BPM package. It is only enabled if LAMMPS was
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built with that package. See the :doc:`Build package <Build_package>`
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page for more info.
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Related commands
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""""""""""""""""
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Default
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"""""""
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none
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