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@ -42,7 +42,7 @@ KOKKOS, o = USER-OMP, t = OPT.
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* :doc:`com <compute_com>`
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* :doc:`com/chunk <compute_com_chunk>`
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* :doc:`contact/atom <compute_contact_atom>`
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* :doc:`coord/atom <compute_coord_atom>`
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* :doc:`coord/atom (k) <compute_coord_atom>`
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* :doc:`damage/atom <compute_damage_atom>`
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* :doc:`dihedral <compute_dihedral>`
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* :doc:`dihedral/local <compute_dihedral_local>`
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@ -3,6 +3,9 @@
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compute coord/atom command
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==========================
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compute coord/atom/kk command
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===================================
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Syntax
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""""""
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@ -109,6 +112,30 @@ too frequently.
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:doc:`special_bonds <special_bonds>` command that includes all pairs in
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the neighbor list.
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----------
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Styles with a *gpu*\ , *intel*\ , *kk*\ , *omp*\ , or *opt* suffix are
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functionally the same as the corresponding style without the suffix.
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They have been optimized to run faster, depending on your available
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hardware, as discussed on the :doc:`Speed packages <Speed_packages>` doc
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page. The accelerated styles take the same arguments and should
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produce the same results, except for round-off and precision issues.
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These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
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USER-OMP and OPT packages, respectively. They are only enabled if
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LAMMPS was built with those packages. See the :doc:`Build package <Build_package>` doc page for more info.
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You can specify the accelerated styles explicitly in your input script
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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
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:doc:`suffix <suffix>` command in your input script.
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See the :doc:`Speed packages <Speed_packages>` doc page for more
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instructions on how to use the accelerated styles effectively.
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----------
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**Output info:**
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For *cstyle* cutoff, this compute can calculate a per-atom vector or
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