From 7cc00e3fed8bd28d735124cebe0af4059e5b02d4 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 24 May 2021 16:21:48 -0400 Subject: [PATCH] fix spelling --- doc/src/pair_rann.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/doc/src/pair_rann.rst b/doc/src/pair_rann.rst index af9b90de14..ed2c9bab3d 100644 --- a/doc/src/pair_rann.rst +++ b/doc/src/pair_rann.rst @@ -168,9 +168,9 @@ length of the fingerprint vector is m*k. 3 *screening* specifies the Cmax and Cmin values used in the screening fingerprints. Neighbors' contribution to the -fingerprint are ommitted if they are blocked by a closer neighbor, and reduced if they are partially blocked. +fingerprint are omitted if they are blocked by a closer neighbor, and reduced if they are partially blocked. Larger values of Cmin correspond to neighbors being blocked more easily. Cmax cannot be greater than 3, and -Cmin cannot be greater than Cmax or less than zero. Screening may be ommitted in which case the default values +Cmin cannot be greater than Cmax or less than zero. Screening may be omitted in which case the default values Cmax = 2.8, Cmin = 0.8 are used. Since screening is a bond computation, it is specified separately for each combination of three elements in which the latter two may be interchanged with no effect.