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ReactionMechanismGenerator
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RMG-Py
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Fix resonance save order
- #2995
#2995
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mjohnson541
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ReactionMechanismGenerator/RMG-Py:main
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fix_resonance_save_order
ReactionMechanismGenerator/RMG-Py:fix_resonance_save_order
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Aug 27, 2026
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Fix resonance save order
#2995
mjohnson541
merged 4 commits into
main
ReactionMechanismGenerator/RMG-Py:main
from
fix_resonance_save_order
ReactionMechanismGenerator/RMG-Py:fix_resonance_save_order
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Commits on Aug 26, 2026
Pass save_order on to the resonance algorithms that accept it
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Add tests for save_order in resonance structure generation
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Stop the charge filtration heuristics keying on sorting_label
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Fix operator precedence in the multiple bond check in charge_filtration
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