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ReactionMechanismGenerator
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ARC
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CREST-based TS conformer search adapter
- #921
#921
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calvinp0
wants to merge 4 commits into
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ReactionMechanismGenerator/ARC:main
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crest_adapter_clean
ReactionMechanismGenerator/ARC:crest_adapter_clean
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Open
CREST-based TS conformer search adapter
#921
calvinp0
wants to merge 4 commits into
main
ReactionMechanismGenerator/ARC:main
from
crest_adapter_clean
ReactionMechanismGenerator/ARC:crest_adapter_clean
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Commits
Commits on Aug 27, 2026
CREST: settings, constants, and installer
calvinp0
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a5d1e86
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CREST: TS-search adapter (H-abstraction) + seed hub
calvinp0
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200b935
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CREST: XY-addition four-center seed builder
calvinp0
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82b81b4
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CREST: document the TS-search adapter
calvinp0
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91b7afe
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