Loading doc/src/compute_orientorder_atom.rst +27 −0 Original line number Diff line number Diff line Loading @@ -3,6 +3,9 @@ compute orientorder/atom command ================================ compute orientorder/atom/kk command ======================= Syntax """""" Loading Loading @@ -132,6 +135,30 @@ 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:** This compute calculates a per-atom array with *nlvalues* columns, Loading Loading
doc/src/compute_orientorder_atom.rst +27 −0 Original line number Diff line number Diff line Loading @@ -3,6 +3,9 @@ compute orientorder/atom command ================================ compute orientorder/atom/kk command ======================= Syntax """""" Loading Loading @@ -132,6 +135,30 @@ 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:** This compute calculates a per-atom array with *nlvalues* columns, Loading
