diff --git a/examples/commented/input.yml b/examples/commented/input.yml index 89e3f554..d033a531 100644 --- a/examples/commented/input.yml +++ b/examples/commented/input.yml @@ -74,7 +74,7 @@ rmg: species: - label: ethane smiles: CC - concentration: 1 + concentration: [1, 1.75] # a concentration range can be defined (a length-2 list) reactive: true # optional, default: ``True`` xyz: [ethane.log] # each entry could be a string/dictionary XYZ format or a file path to parse the information from seed_all_rads: ['radical', 'alkoxyl', 'peroxyl'] # radical derivatives that will be added the RMG input file