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rename compute local/comp/atom to composition/atom

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This commit is contained in:
Axel Kohlmeyer
2023-08-23 14:06:44 -04:00
parent 476446d93c
commit 00345ce8c3
8 changed files with 56 additions and 56 deletions
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2
doc/src/Commands_compute.rst
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@ -91,7 +91,7 @@ KOKKOS, o = OPENMP, t = OPT.
* :doc:`ke/atom/eff <compute_ke_atom_eff>`
* :doc:`ke/eff <compute_ke_eff>`
* :doc:`ke/rigid <compute_ke_rigid>`
* :doc:`local/comp/atom (k) <compute_local_comp_atom>`
* :doc:`composition/atom (k) <compute_composition_atom>`
* :doc:`mliap <compute_mliap>`
* :doc:`momentum <compute_momentum>`
* :doc:`msd <compute_msd>`

2
doc/src/compute.rst
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@ -245,7 +245,7 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` pag
* :doc:`ke/atom/eff <compute_ke_atom_eff>` - per-atom translational and radial kinetic energy in the electron force field model
* :doc:`ke/eff <compute_ke_eff>` - kinetic energy of a group of nuclei and electrons in the electron force field model
* :doc:`ke/rigid <compute_ke_rigid>` - translational kinetic energy of rigid bodies
* :doc:`local/comp/atom <compute_local_comp_atom>` - local composition for each atom
* :doc:`composition/atom <compute_composition_atom>` - local composition for each atom
* :doc:`mliap <compute_mliap>` - gradients of energy and forces with respect to model parameters and related quantities for training machine learning interatomic potentials
* :doc:`momentum <compute_momentum>` - translational momentum
* :doc:`msd <compute_msd>` - mean-squared displacement of group of atoms

18
doc/src/compute_local_comp_atom.rst → doc/src/compute_composition_atom.rst
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@ -1,20 +1,20 @@
.. index:: compute local/comp/atom
.. index:: compute local/comp/atom/kk
.. index:: compute composition/atom
.. index:: compute composition/atom/kk
compute local/comp/atom command
===============================
compute composition/atom command
================================
Accelerator Variants: *local/comp/atom/kk*
Accelerator Variants: *composition/atom/kk*
Syntax
""""""
.. code-block:: LAMMPS
compute ID group-ID local/comp/atom keyword values ...
compute ID group-ID composition/atom keyword values ...
* ID, group-ID are documented in :doc:`compute <compute>` command
* local/comp/atom = style name of this compute command
* composition/atom = style name of this compute command
* one or more keyword/value pairs may be appended
.. parsed-literal::
@ -27,9 +27,9 @@ Examples
.. code-block:: LAMMPS
compute 1 all local/comp/atom
compute 1 all composition/atom
compute 1 all local/comp/atom cutoff 9.0
compute 1 all composition/atom cutoff 9.0
comm_modify cutoff 9.0