From b8cf727659d5b0a6f286d5c0359162ed35ec137b Mon Sep 17 00:00:00 2001 From: Shoubhik Maiti <17470159+shoubhikraj@users.noreply.github.com> Date: Fri, 22 Sep 2023 13:24:59 +0100 Subject: [PATCH] update docs --- autode/bracket/ieip.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/autode/bracket/ieip.py b/autode/bracket/ieip.py index f501c5877..8105eeefb 100644 --- a/autode/bracket/ieip.py +++ b/autode/bracket/ieip.py @@ -456,8 +456,9 @@ def __init__( max_macro_step: The maximum step size for one macro-iteration - use_ll_neb_interp: Whether to use lmethod CI-NEB for the - initial interpolation + use_ll_neb_interp: Whether to use lmethod NEB for the + initial interpolation instead of only IDPP + interpolation interp_fraction: Generate image pair on both sides of the interpolated peak with this fraction of the