From 12e8b9eb8b5ba3421fbfc6d34d0f0658d2d3cc68 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 9 Feb 2021 09:40:23 -0500 Subject: [PATCH] include references to USER-OMP accelerator variant --- doc/src/Commands_pair.rst | 2 +- doc/src/pair_lj_relres.rst | 11 ++++++++++- 2 files changed, 11 insertions(+), 2 deletions(-) diff --git a/doc/src/Commands_pair.rst b/doc/src/Commands_pair.rst index 21523f421e..3907a625e5 100644 --- a/doc/src/Commands_pair.rst +++ b/doc/src/Commands_pair.rst @@ -163,7 +163,7 @@ OPT. * :doc:`lj/long/dipole/long ` * :doc:`lj/long/tip4p/long (o) ` * :doc:`lj/mdf ` - * :doc:`lj/relres ` + * :doc:`lj/relres (o) ` * :doc:`lj/sdk (gko) ` * :doc:`lj/sdk/coul/long (go) ` * :doc:`lj/sdk/coul/msm (o) ` diff --git a/doc/src/pair_lj_relres.rst b/doc/src/pair_lj_relres.rst index c0d3ae0103..419ddcea4e 100644 --- a/doc/src/pair_lj_relres.rst +++ b/doc/src/pair_lj_relres.rst @@ -1,8 +1,11 @@ .. index:: pair_style lj/relres +.. index:: pair_style lj/relres/omp pair_style lj/relres command ============================ +Accelerator Variants: *lj/relres/omp* + Syntax """""" @@ -53,7 +56,7 @@ Details can be found in :ref:`(Chaimovich) `. Energy and force resulting from this methodology can be plotted via the :doc:`pair_write ` command to see the effect. -In implementation of *lj/relres* style, atoms are grouped in the way that one of the atoms in the group plays the role of a coarse-grained site for the calculation +In the implementation of *lj/relres* style, atoms are grouped in the way that one of the atoms in the group plays the role of a coarse-grained site for the calculation of interactions beyond :math:`r_{so}` distance while continuing to play the role of a fine-grained site for shorter distances. This atom must be defined as a different atom type. Other atoms in the group participate in the fine-grained interactions only. @@ -81,6 +84,12 @@ Additional parameters can be defined to specify different :math:`r_{si}`, :math: These parameters are optional and they are used to override global values defined in the pair_style command. If this override option is used, all four values must be specified. If not specified, the global values for :math:`r_{si}`, :math:`r_{so}`, :math:`r_{ci}`, and :math:`r_{co}` are used. +---------- + +.. include:: accel_styles.rst + +---------- + Mixing, shift, table, tail correction, restart, rRESPA info """""""""""""""""""""""""""""""""""""""""""""""""""""""""""