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Add script for computing Premixed flamelets#28

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baperry2 merged 5 commits intodevelopmentfrom
premixed-flamelets
Jan 2, 2026
Merged

Add script for computing Premixed flamelets#28
baperry2 merged 5 commits intodevelopmentfrom
premixed-flamelets

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@baperry2 baperry2 commented Jan 2, 2026

Also includes some minor extensions for the TomlParmParse utility that became helpful for this.

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Pull request overview

This PR adds a new script for computing premixed flamelets using Cantera and extends the TomlParmParse utility with helpful features.

  • New script compute_premixed_flamelets.py generates 1D unstrained premixed flames across various conditions (pressure, temperature, composition)
  • Enhanced TomlParmParse with choices parameter validation, require_output option, and support for directory-based output paths
  • Added scalar_to_list utility function for flexible scalar/list input handling

Reviewed changes

Copilot reviewed 7 out of 7 changed files in this pull request and generated 10 comments.

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File Description
run_scripts/cantera/compute_premixed_flamelets.py New script implementing premixed flamelet computations with MPI support and multiple composition specification methods
run_scripts/cantera/compute_premixed_flamelets.toml Example configuration file for the premixed flamelet script
cmlm/utils/input_file.py Extended TomlParmParse with choices validation, directory output support, and added scalar_to_list helper function
run_scripts/ctable/create_spray_table_nd.py Refactored species list handling and simplified documentation
run_scripts/ctable/create_dummy_table_nd.py Simplified documentation format
docs/run-scripts.rst Added documentation for new premixed flamelet script and general TomlParmParse usage
docs/conf.py Added path for cantera run_scripts directory to enable documentation generation

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@baperry2 baperry2 merged commit e38d6e8 into development Jan 2, 2026
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@baperry2 baperry2 deleted the premixed-flamelets branch January 2, 2026 23:58
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