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Pull requests: ReactionMechanismGenerator/ARC
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Test whether the SCF reference is the ground state, and act on the answer
Module: Main
Module: Scheduler
Module: Species
#1014
opened Aug 22, 2026 by
calvinp0
Member
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Report the two RDKit failures ARC currently swallows
Module: Conformers
Module: Converter
#1013
opened Aug 22, 2026 by
calvinp0
Member
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Run the TS E0 check for reactions with a monoatomic participant
Module: Scheduler
#1012
opened Aug 22, 2026 by
calvinp0
Member
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Stop the charge filtration heuristics keying on sorting_label
#1011
opened Aug 22, 2026 by
calvinp0
Member
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Clear the TS energy cache and checkfile when switching to the next TS guess
Module: Scheduler
#1010
opened Aug 22, 2026 by
calvinp0
Member
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Give each TestScheduler test its own scheduler and project directory
#1009
opened Aug 22, 2026 by
calvinp0
Member
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Give each test class its own scratch directory instead of writing into arc/testing
Module Functional
#1008
opened Aug 22, 2026 by
calvinp0
Member
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Apply the capped memory overhead to a job that requests exactly the cap
#1007
opened Aug 22, 2026 by
calvinp0
Member
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Repair the Gaussian ESS troubleshooting ladder and route construction
Module: Scheduler
Module: trsh
Troubleshooting
#1006
opened Aug 22, 2026 by
calvinp0
Member
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perf(reaction): stop generating 3D conformers just to count atoms (59x); allow execute_command to time out
Module: Local
Module: Scheduler
Module: Species
#1003
opened Aug 20, 2026 by
alongd
Member
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Make remote submission over SSH work, from the host and from the container
Module: Main
Module: Scheduler
Module: SSH
Module: trsh
Troubleshooting
#1001
opened Aug 19, 2026 by
calvinp0
Member
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Make TS adapter spawning degrade gracefully instead of silently or fatally
Module: Scheduler
#996
opened Aug 18, 2026 by
alongd
Member
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fix: guard against a None species.thermo in parse_arkane_thermo_output
#995
opened Aug 17, 2026 by
alongd
Member
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Fix rmg_env_command dropping PYTHONPATH needed for source-tree RMG-Py
#994
opened Aug 17, 2026 by
alongd
Member
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4 tasks done
Don't crash h_abstraction() on empty product_dicts
#993
opened Aug 17, 2026 by
alongd
Member
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1 task done
Make the molecular graph's edge and cycle order independent of the hash seed
#992
opened Aug 17, 2026 by
calvinp0
Member
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Fix TS guess execution times zeroing on restart, relative energies compounding on re-report, and align the TS guess report
Module: Scheduler
Module: Species
#988
opened Aug 16, 2026 by
calvinp0
Member
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Make queue-executed ASE (UMA/fairchem) jobs runnable on a cluster
Module: Scheduler
#985
opened Aug 15, 2026 by
alongd
Member
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Bump the third-party-actions group across 1 directory with 4 updates
dependencies
Pull requests that update a dependency file
github_actions
Pull requests that update GitHub Actions code
#980
opened Aug 13, 2026 by
dependabot
Bot
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Make the RMG family set configurable via settings, resolved in get_all_families
Module: Mapping
#978
opened Aug 13, 2026 by
calvinp0
Member
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1/3
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Support reactions where a species participates more than once (A + A)
Module: Processor
#974
opened Aug 12, 2026 by
calvinp0
Member
•
1/2
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Preserve args in Level string representation for frequency scaling
#972
opened Aug 12, 2026 by
calvinp0
Member
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Displace the TS along the normal mode in Cartesian, not mass-weighted, coordinates
Module: trsh
Troubleshooting
#970
opened Aug 12, 2026 by
calvinp0
Member
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Fix Molpro parse_geometry: raises on every log, and returned Bohr coordinates
#969
opened Aug 12, 2026 by
calvinp0
Member
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Fix KeyError on deleted IRC species in save_project_info_file
Module: Main
Module: Scheduler
#966
opened Aug 12, 2026 by
calvinp0
Member
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