CREST Adapter#807

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calvinp0 wants to merge 92 commits intomainfrom

Commits on Feb 12, 2026

Commits on Apr 5, 2026

Commits on Apr 7, 2026

Handle existing pipe directories on fresh start

calvinp0
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claude
committed
Handle existing pipe directories on fresh start

calvinp0
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claude
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Add FAILED_ESS task state and document pipe task lifecycle

calvinp0
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claude
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Fix premature 'all conformer jobs terminated' when others still running

calvinp0
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claude
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Move pipe directories from runs/ into calcs/ with auto-indexing

calvinp0
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claude
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Document pipe directory structure in advanced.rst

calvinp0
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claude
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Write task_summary.txt on pipe run completion

calvinp0
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claude
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Write task_summary.txt on pipe run completion

calvinp0
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claude
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Add tests for pipe directory restructure, ESS error classification, and ejection

calvinp0
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claude
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Add tests for pipe directory restructure, ESS error classification, and routing

calvinp0
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claude
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Fix premature check_all_done when species has active pipe run

calvinp0
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claude
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Fix unused variable in pipe_state_test
calvinp0
committed

Commits on Apr 8, 2026

Commits on Apr 9, 2026

Commits on Apr 10, 2026

Commits on Apr 11, 2026

Fix switch_ts to reset state & clean up IRC when switching TS guesses
calvinp0
committed

Commits on Apr 14, 2026

Commits on Apr 15, 2026

Fix switch_ts resetting rotors convergence flag and stale rotors_dict
calvinp0
committed

Commits on Apr 18, 2026

Commits on Apr 20, 2026

Commits on Apr 22, 2026

perceive: represent inter-fragment contacts in transition states as reaction bonds
calvinp0
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