From 40b62e11b1b4a1f2bf1e44d5a1b10fedf481c102 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 26 Jun 2020 11:14:40 -0400 Subject: [PATCH] add comment requested by @sjplimp --- src/MANYBODY/pair_eam.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index 0133a064f8..ba347ccf96 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -669,6 +669,7 @@ void PairEAM::file2array() // create a z2r array for each file against other files, only for I >= J // interpolate zri and zrj to a single grid and cutoff + // final z2r includes unit conversion of 27.2 eV/Hartree and 0.529 Ang/Bohr double zri,zrj;