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Added species concentration range to the commented input file
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alongd committed Jul 27, 2020
1 parent 6c7f418 commit 4d6555c
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion examples/commented/input.yml
Original file line number Diff line number Diff line change
Expand Up @@ -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
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