From 8d57f9da54feda736eff094756c20b7409297e77 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Fri, 28 Jun 2024 19:26:45 +0300 Subject: [PATCH] Tests: Adaptations to Reaction tests --- arc/testing/reactions/methanoate_hydrolysis/input_1.yml | 2 ++ arc/testing/reactions/methanoate_hydrolysis/input_2.yml | 2 ++ 2 files changed, 4 insertions(+) diff --git a/arc/testing/reactions/methanoate_hydrolysis/input_1.yml b/arc/testing/reactions/methanoate_hydrolysis/input_1.yml index b8f31a088f..7e207f255e 100644 --- a/arc/testing/reactions/methanoate_hydrolysis/input_1.yml +++ b/arc/testing/reactions/methanoate_hydrolysis/input_1.yml @@ -39,6 +39,8 @@ job_types: freq: true sp: true +freq_scale_factor: 1.0 + species: - label: 'H2O' smiles: O diff --git a/arc/testing/reactions/methanoate_hydrolysis/input_2.yml b/arc/testing/reactions/methanoate_hydrolysis/input_2.yml index b8f31a088f..7e207f255e 100644 --- a/arc/testing/reactions/methanoate_hydrolysis/input_2.yml +++ b/arc/testing/reactions/methanoate_hydrolysis/input_2.yml @@ -39,6 +39,8 @@ job_types: freq: true sp: true +freq_scale_factor: 1.0 + species: - label: 'H2O' smiles: O