From 551001f172a36790b7ff53453383d381b9e66ea5 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer <akohlmey@gmail.com> Date: Thu, 20 Jul 2017 17:08:19 -0400 Subject: [PATCH] revert change, that is part of the kim-install branch and changeset --- doc/src/pair_kim.txt | 33 ++++++--------------------------- 1 file changed, 6 insertions(+), 27 deletions(-) diff --git a/doc/src/pair_kim.txt b/doc/src/pair_kim.txt index 5ee607c2b0..5a623e5ece 100644 --- a/doc/src/pair_kim.txt +++ b/doc/src/pair_kim.txt @@ -27,34 +27,13 @@ pair_coeff * * Ar Ar :pre [Description:] This pair style is a wrapper on the "Knowledge Base for Interatomic -Models (OpenKIM)"_https://openkim.org repository of interatomic -potentials, so that they can be used by LAMMPS scripts. +Models (KIM)"_https://openkim.org repository of interatomic potentials, +so that they can be used by LAMMPS scripts. -Note that in LAMMPS lingo, a KIM model driver is a pair style -(e.g. EAM or Tersoff). A KIM model is a pair style for a particular -element or alloy and set of parameters, e.g. EAM for Cu with a -specific EAM potential file. - -See the current list of "KIM model -drivers"_https://openkim.org/kim-items/model-drivers/alphabetical. - -See the current list of all "KIM -models"_https://openkim.org/kim-items/models/by-model-drivers - -See the list of "example KIM models"_https://openkim.org/kim-api which -are included in the KIM library by default, in the "What is in the KIM -API source package?" section. - -To use this pair style, you must first download and install the KIM -API library from the "OpenKIM website"_https://openkim.org. The "KIM -section of Section packages"_Section_packages.html#kim-package has -instructions on how to do this with a simple make command, when -building LAMMPS. - -See the examples/kim dir for an input script that uses a KIM model -(potential) for Lennard-Jones. - -:line +In KIM lingo, a potential is a "model" and a model contains both the +analytic formulas that define the potential as well as the parameters +needed to run it for one or more materials, including coefficients and +cutoffs. The argument {virialmode} determines how the global virial is calculated. If {KIMvirial} is specified, the KIM model performs the -- GitLab