Update docs

This commit is contained in:
Stan Moore
2020-05-01 07:53:41 -06:00
parent 71159c4af4
commit 6817355a41
2 changed files with 28 additions and 1 deletions

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@ -42,7 +42,7 @@ KOKKOS, o = USER-OMP, t = OPT.
* :doc:`com <compute_com>`
* :doc:`com/chunk <compute_com_chunk>`
* :doc:`contact/atom <compute_contact_atom>`
* :doc:`coord/atom <compute_coord_atom>`
* :doc:`coord/atom (k) <compute_coord_atom>`
* :doc:`damage/atom <compute_damage_atom>`
* :doc:`dihedral <compute_dihedral>`
* :doc:`dihedral/local <compute_dihedral_local>`

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@ -3,6 +3,9 @@
compute coord/atom command
==========================
compute coord/atom/kk command
===================================
Syntax
""""""
@ -109,6 +112,30 @@ too frequently.
:doc:`special_bonds <special_bonds>` command that includes all pairs in
the neighbor list.
----------
Styles with a *gpu*\ , *intel*\ , *kk*\ , *omp*\ , or *opt* suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed on the :doc:`Speed packages <Speed_packages>` doc
page. The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues.
These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
USER-OMP and OPT packages, respectively. They are only enabled if
LAMMPS was built with those packages. See the :doc:`Build package <Build_package>` doc page for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the :doc:`-suffix command-line switch <Run_options>` when you invoke LAMMPS, or you can use the
:doc:`suffix <suffix>` command in your input script.
See the :doc:`Speed packages <Speed_packages>` doc page for more
instructions on how to use the accelerated styles effectively.
----------
**Output info:**
For *cstyle* cutoff, this compute can calculate a per-atom vector or