Adding rheo property/atom compute odc

doc/src/compute_rheo_property_atom.rst

@@ -0,0 +1,101 @@
+.. index:: compute rheo/property/atom
+
+compute rheo/property/atom command
+=============================
+
+Syntax
+""""""
+
+.. code-block:: LAMMPS
+
+   compute ID group-ID rheo/property/atom input1 input2 ...
+
+* ID, group-ID are documented in :doc:`compute <compute>` command
+* rheo/property/atom = style name of this compute command
+* input = one or more atom attributes
+
+  .. parsed-literal::
+
+       possible attributes = phase, chi, surface, surface/r,
+                             surface/divr, surface/nx, surface/ny,
+                             surface/nz, coordination, cv, shift/vx,
+                             shift/vy, shift/vz, temperature, heatflow,
+                             conductivity, viscosity, pressure, status,
+                             rho
+
+  .. parsed-literal::
+
+           *phase* = atom phase status
+           *chi* = atom phase neighborhood metric
+           *surface* = atom surface status
+           *surface/r* = atom distance from the surface
+           *surface/divr* = divergence of position at atom position
+           *surface/nx,  surface/ny, surface/nz* = surface normal vector
+           *coordination* = coordination number
+           *shift/vx, shift/vy, shift/vz* = atom shifting velocity
+           *temperature* = atom temperature
+           *heatflow* = atom heat flow
+           *conductivity* = atom conductivity
+           *viscosity* = atom viscosity
+           *pressure* = atom pressure
+           *status* = atom full status
+           *rho* = atom density
+
+Examples
+""""""""
+
+.. code-block:: LAMMPS
+
+   compute 1 all rheo/property/atom phase surface/r pressure
+
+Description
+"""""""""""
+
+Define a computation that simply stores atom attributes specific to the
+RHEO package for each atom in the group.  This is useful so that the
+values can be used by other :doc:`output commands <Howto_output>` that
+take computes as inputs. See for example, the :doc:`compute reduce
+<compute_reduce>`, :doc:`fix ave/atom <fix_ave_atom>`, :doc:`fix
+ave/histo <fix_ave_histo>`, :doc:`fix ave/chunk <fix_ave_chunk>`,
+and :doc:`atom-style variable <variable>` commands.
+
+The possible attributes are described in more detail in other RHEO doc
+pages include :doc:`fix rheo <fix_rheo>`, :doc:`pair rheo <pair_rheo>`,
+and :doc:`the RHEO howto page <Howto_rheo>`.
+
+The values are stored in a per-atom vector or array as discussed
+below.  Zeroes are stored for atoms not in the specified group or for
+quantities that are not defined for a particular particle in the group
+
+Output info
+"""""""""""
+
+This compute calculates a per-atom vector or per-atom array depending
+on the number of input values.  If a single input is specified, a
+per-atom vector is produced.  If two or more inputs are specified, a
+per-atom array is produced where the number of columns = the number of
+inputs.  The vector or array can be accessed by any command that uses
+per-atom values from a compute as input.  See the :doc:`Howto output
+<Howto_output>` page for an overview of LAMMPS output options.
+
+The vector or array values will be in whatever :doc:`units <units>` the
+corresponding attribute is in (e.g., density units for *rho*).
+
+Restrictions
+""""""""""""
+ none
+
+Related commands
+""""""""""""""""
+
+:doc:`dump custom <dump>`, :doc:`compute reduce <compute_reduce>`,
+:doc:`fix ave/atom <fix_ave_atom>`, :doc:`fix ave/chunk <fix_ave_chunk>`,
+:doc:`fix rheo/viscosity <fix_rheo_viscosity>`,
+:doc:`fix rheo/pressure <fix_rheo_pressure>`,
+:doc:`fix rheo/thermal <fix_rheo_thermal>`,
+:doc:`pair rheo <pair_rheo>`
+
+Default
+"""""""
+
+none