From 9185f28a12d7737e2148fb34fc65fc7a3eee3ae2 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 25 Feb 2019 02:43:51 -0500 Subject: [PATCH] correct compute group/group documentation for use with EAM styles --- doc/src/compute_group_group.txt | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/doc/src/compute_group_group.txt b/doc/src/compute_group_group.txt index cff3687354..5dfd8cf60b 100644 --- a/doc/src/compute_group_group.txt +++ b/doc/src/compute_group_group.txt @@ -137,11 +137,12 @@ Not all pair styles can be evaluated in a pairwise mode as required by this compute. For example, 3-body and other many-body potentials, such as "Tersoff"_pair_tersoff.html and "Stillinger-Weber"_pair_sw.html cannot be used. "EAM"_pair_eam.html -potentials only include the pair potential portion of the EAM -interaction when used by this compute, not the embedding term. +potentials will re-use previously computed embedding term contributions, +so the computed pairwise forces and energies are based on the whole +system and not valid if particles have been moved since. -Not all Kspace styles support calculation of group/group interactions. -The {ewald} and {pppm} styles do. +Not all "Kspace styles"_kspace_style.html support the calculation of +group/group interactions. The regular {ewald} and {pppm} styles do. [Related commands:] none