From f6faad335cf5e4be18a410944c0de0d0ec71b3cb Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer <akohlmey@gmail.com> Date: Fri, 30 Jun 2017 11:37:18 -0400 Subject: [PATCH] update documentation for nb3/harmonic pair style according to e-mail to lammps-users --- doc/src/pair_nb3b_harmonic.txt | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/doc/src/pair_nb3b_harmonic.txt b/doc/src/pair_nb3b_harmonic.txt index 86a535acf3..3f7066c826 100644 --- a/doc/src/pair_nb3b_harmonic.txt +++ b/doc/src/pair_nb3b_harmonic.txt @@ -80,10 +80,12 @@ For a given entry, if the first three arguments are all different, then the entry is for the {K} and {theta_0} parameters (the cutoff in this case is irrelevant). -It is {not} required that the potential file contain entries for all -of the elements listed in the pair_coeff command. It can also contain -entries for additional elements not being used in a particular -simulation; LAMMPS ignores those entries. +It is required that the potential file contains entries for {all} +permutations of the elements listed in the pair_coeff command. +If certain combinations are not parameterized the corresponding +parameters should be set to zero. The potential file can also +contain entries for additional elements which are not used in +a particular simulation; LAMMPS ignores those entries. :line -- GitLab