Add atst examples in ASE interfaces examples#7608
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kirk0830
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Jul 8, 2026
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this PR tries to show the usage to interface with the ATST-Tools, which is the package collects some sophisticated algorithms that can widen the scope of ABACUS usage. However, the introduced dependency is unacceptable, the change proposed on the file structure is also to be corrected.
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Reminder
AGENTS.mdanddocs/developers_guide/agent_governance.md.source/changes.Linked Issue
No linked issue. This PR refines documentation discovery for the optional external ATST-Tools transition-state workflow project.
Unit Tests and/or Case Tests for my changes
No new unit or case test is added. The final diff is documentation-only and changes no ABACUS or abacuslite runtime behavior.
Exact Verification Performed
git diff --check c43b14edff0867b41d18a8caa83b83ed18c07ade HEAD: passed.git diff --name-only c43b14edff0867b41d18a8caa83b83ed18c07ade HEAD: passed; output contains onlyinterfaces/ASE_interface/README.md.python3 tools/03_code_analysis/agent_governance_check.py --base c43b14edff0867b41d18a8caa83b83ed18c07ade --head HEAD --format text: passed withAgent governance check: no findings.What's changed?
interfaces/ASE_interface/examples/atst_tools/files, including ATST YAML configurations and helper scripts.Why this scope?
ATST-Tools owns its installation, CLI, configuration schema, runnable workflows, and validation. Keeping those files in its own repository avoids adding an operational or maintenance dependency to ABACUS while preserving a clear discovery path for advanced ASE transition-state workflows.
Governance Checklist
GlobalV,GlobalC, orPARAMreferences are added.INPUT Parameter Changes
docs/parameters.yamlupdated: not applicable.docs/advanced/input_files/input-main.mdupdated: not applicable.Core Module Impact
Governance Exception