66 lines
1.7 KiB
ReStructuredText
66 lines
1.7 KiB
ReStructuredText
.. index:: compute pressure/uef
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compute pressure/uef command
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============================
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Syntax
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""""""
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.. parsed-literal::
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compute ID group-ID pressure/uef temp-ID keyword ...
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* ID, group-ID are documented in :doc:`compute <compute>` command
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* pressure/uef = style name of this compute command
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* temp-ID = ID of compute that calculates temperature, can be NULL if not needed
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* zero or more keywords may be appended
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* keyword = *ke* or *pair* or *bond* or *angle* or *dihedral* or *improper* or *kspace* or *fix* or *virial*
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Examples
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""""""""
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.. parsed-literal::
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compute 1 all pressure/uef my_temp_uef
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compute 2 all pressure/uef my_temp_uef virial
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Description
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"""""""""""
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This command is used to compute the pressure tensor in
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the reference frame of the applied flow field when
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:doc:`fix nvt/uef <fix_nh_uef>` or
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:doc:`fix npt/uef <fix_nh_uef>` is used.
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It is not necessary to use this command to compute the scalar
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value of the pressure. A :doc:`compute pressure <compute_pressure>`
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may be used for that purpose.
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The keywords and output information are documented in
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:doc:`compute_pressure <compute_pressure>`.
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Restrictions
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""""""""""""
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This fix is part of the USER-UEF package. It is only enabled if LAMMPS
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was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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This command can only be used when :doc:`fix nvt/uef <fix_nh_uef>`
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or :doc:`fix npt/uef <fix_nh_uef>` is active.
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The kinetic contribution to the pressure tensor
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will be accurate only when
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the compute specified by *temp-ID* is a
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:doc:`compute temp/uef <compute_temp_uef>`.
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Related commands
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""""""""""""""""
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:doc:`compute pressure <compute_pressure>`,
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:doc:`fix nvt/uef <fix_nh_uef>`,
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:doc:`compute temp/uef <compute_temp_uef>`
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**Default:** none
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