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ReactionMechanismGenerator / T3 Public

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Added auto-completion for RMG thermo and kinetics libraries based on the chemistry set#160

Merged

alongd merged 9 commits intomainReactionMechanismGenerator/T3:mainfrom rec_libsReactionMechanismGenerator/T3:rec_libsCopy head branch name to clipboard

Nov 1, 2024

+321-60

Conversation Commits9 (9)Checks Files changed

Commits

Commits on Oct 31, 2024

Minor: Added a doscstring to common run_minimal()
alongd
committed
Added recommended RMG libraries per application with credence
alongd
committed
Refactored TEST_DATA_BASE_PATH
alongd
committed
Added DATA_BASE_PATH to common
alongd
committed
Added chemistry_sets to RMGDatabase in schema
alongd
committed
Tests: Adaptation to schema test
alongd
committed
Updated the commented input file with chemistry_sets
alongd
committed
Added auto_complete_rmg_libraries() to main
alongd
committed
Tests: auto_complete_rmg_libraries
alongd
committed

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