-
Notifications
You must be signed in to change notification settings - Fork 25
Pull requests: ReactionMechanismGenerator/ARC
Author
Label
Projects
Milestones
Reviews
Assignee
Sort
Pull requests list
Resolve H_Abstraction well ordering per product dict; skip linear-segment torsions
Module: Mapping
Module: Species
#1020
opened Aug 23, 2026 by
calvinp0
Member
Loading…
Add a rotor_scan_resolution input key
Module: Main
Module: Scheduler
#1019
opened Aug 23, 2026 by
alongd
Member
Loading…
Add a one-process relaxed rotor scan to the ASE adapter
#1018
opened Aug 22, 2026 by
alongd
Member
Loading…
ci: request a Copilot review once CI first passes on a PR to main
#1016
opened Aug 22, 2026 by
alongd
Member
Loading…
Restore live conformer jobs by name on restart, not the fossil 'conformer{i}'
Module: Scheduler
#1015
opened Aug 22, 2026 by
alongd
Member
Loading…
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
Loading…
Report the two RDKit failures ARC currently swallows
Module: Conformers
Module: Converter
#1013
opened Aug 22, 2026 by
calvinp0
Member
Loading…
Run the TS E0 check for reactions with a monoatomic participant
Module: Scheduler
#1012
opened Aug 22, 2026 by
calvinp0
Member
Loading…
Stop the charge filtration heuristics keying on sorting_label
#1011
opened Aug 22, 2026 by
calvinp0
Member
Loading…
Clear the TS energy cache and checkfile when switching to the next TS guess
Module: Scheduler
#1010
opened Aug 22, 2026 by
calvinp0
Member
Loading…
Give each TestScheduler test its own scheduler and project directory
#1009
opened Aug 22, 2026 by
calvinp0
Member
Loading…
Give each test class its own scratch directory instead of writing into arc/testing
Module Functional
#1008
opened Aug 22, 2026 by
calvinp0
Member
Loading…
Apply the capped memory overhead to a job that requests exactly the cap
#1007
opened Aug 22, 2026 by
calvinp0
Member
Loading…
Repair the Gaussian ESS troubleshooting ladder and route construction
Module: Scheduler
Module: trsh
Troubleshooting
#1006
opened Aug 22, 2026 by
calvinp0
Member
Loading…
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
Loading…
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
Loading…
Make TS adapter spawning degrade gracefully instead of silently or fatally
Module: Scheduler
#996
opened Aug 18, 2026 by
alongd
Member
Loading…
fix: guard against a None species.thermo in parse_arkane_thermo_output
#995
opened Aug 17, 2026 by
alongd
Member
Loading…
Fix rmg_env_command dropping PYTHONPATH needed for source-tree RMG-Py
#994
opened Aug 17, 2026 by
alongd
Member
Loading…
4 tasks done
Make the molecular graph's edge and cycle order independent of the hash seed
#992
opened Aug 17, 2026 by
calvinp0
Member
Loading…
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
Loading…
Make queue-executed ASE (UMA/fairchem) jobs runnable on a cluster
Module: Scheduler
#985
opened Aug 15, 2026 by
alongd
Member
Loading…
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
Loading…
Make the RMG family set configurable via settings, resolved in get_all_families
Module: Mapping
#978
opened Aug 13, 2026 by
calvinp0
Member
•
1/3
Loading…
Support reactions where a species participates more than once (A + A)
Module: Processor
#974
opened Aug 12, 2026 by
calvinp0
Member
•
1/2
Loading…
Previous Next
ProTip!
Filter pull requests by the default branch with base:main.