ReactionMechanismGenerator / ReactionMechanismGenerator/T3

Allow specifying species concentrations in the reactors

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Type: Feature
Dominant language
Python
Stars
14
Forks
7
Avg merge
22h 36m
Merged PRs (30d)
22

Description

If a species concentration is specified in the reactor, use it for that reactor in RMG, otherwise use its concentration from the species block. Currently we cannot run multiple reactors each with a different concentration.

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

The issue names no files, tests, or entry points. Start by locating reactor and species-block concentration handling, then verify that a reactor-specific concentration overrides the species-block value while multiple reactors retain distinct concentrations.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
backend
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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