From 64779eb5761a468640e0bc4a0de98570386202f6 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer <akohlmey@gmail.com> Date: Tue, 6 Mar 2018 13:21:34 -0500 Subject: [PATCH] documentation update for MEAM to clarify the I,J,K indices in the MEAM parameter file --- doc/src/pair_meam.txt | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/doc/src/pair_meam.txt b/doc/src/pair_meam.txt index 62fa59f406..a25f96021f 100644 --- a/doc/src/pair_meam.txt +++ b/doc/src/pair_meam.txt @@ -164,7 +164,14 @@ keyword(I) = value keyword(I,J) = value keyword(I,J,K) = value :pre -The recognized keywords are as follows: +The indices I, J, K correspond to the elements selected from the +MEAM library file numbered in the order of how those elements were +selected starting from 1. Thus for the example given below + +pair_coeff * * library.meam Si C sic.meam Si Si Si C :pre + +an index of 1 would refer to Si and an index of 2 to C. The recognized +keywords for the parameter file are as follows: Ec, alpha, rho0, delta, lattce, attrac, repuls, nn2, Cmin, Cmax, rc, delr, augt1, gsmooth_factor, re -- GitLab