57 lines
1.6 KiB
ReStructuredText
57 lines
1.6 KiB
ReStructuredText
.. index:: fix_modify AtC atom_weight
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fix_modify AtC atom_weight command
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==================================
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Syntax
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""""""
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.. parsed-literal::
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fix_modify <AtC fixID> atom_weight <method> <args>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* atom_weight = name of the AtC sub-command
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* method = *constant* or *lattice* or *element* or *region* or *group* or *read_in*
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- *constant* <group-ID> <value>: atoms in specified group are assigned the constant value given
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- *lattice*\ : volume per atom for specified lattice type (e.g. fcc) and parameter
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- *element*\ : element volume divided among atoms within element
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- *region*\ : volume per atom determined based on the atom count in the MD regions and their volumes. Note: meaningful only if atoms completely fill all the regions.
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- *group*\ : volume per atom determined based on the atom count in a group and its volume
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- *node*\ : (undocumented)
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- *node_element*\ : (undocumented)
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- *read_in*\ <filename>: list of values for atoms are read-in from specified file
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC atom_weight constant myatoms 11.8
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fix_modify AtC atom_weight lattice
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fix_modify AtC atom_weight read-in atm_wt_file.txt
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Description
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"""""""""""
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Command for assigning the value of atomic weights used for atomic
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integration in atom-continuum coupled simulations.
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Restrictions
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""""""""""""
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The use of the lattice option requires a lattice type and parameter is already specified.
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Related AtC commands
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""""""""""""""""""""
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- :ref:`fix_modify AtC command overview <atc_fix_modify>`
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Default
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"""""""
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*lattice*
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