Add atst examples in ASE interfaces examples#7608
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Reminder
AGENTS.mdanddocs/developers_guide/agent_governance.md.source/changes.Linked Issue
No linked issue. This PR only adds optional ATST-Tools workflow examples and a short README entry under the ASE interface examples.
Unit Tests and/or Case Tests for my changes
git diff --check -- interfaces/ASE_interface/README.md interfaces/ASE_interface/examples/atst_tools: passed.interfaces/ASE_interface/README.md interfaces/ASE_interface/examples/atst_tools: passed.conda run -n atst-dev atst config validate ... --print-normalizedfor all added YAML configs: passed.conda run -n atst-dev atst run --dry-run ...for all added workflow configs: passed.conda run -n atst-dev atst abacus prepare ...andatst abacus collect ...for the helper workflow: passed.Exact Verification Performed
git diff --check -- interfaces/ASE_interface/README.md interfaces/ASE_interface/examples/atst_toolsinterfaces/ASE_interface/README.md interfaces/ASE_interface/examples/atst_toolsmake_inputs.pyconda run -n atst-dev atst config validate <config> --print-normalizedforrelax_si,neb_si,sella_h2,ccqn_h2, bothmd_siconfigs, andabacus_helperconda run -n atst-dev atst run --dry-run <config>forrelax_si,neb_si,sella_h2,ccqn_h2, and bothmd_siconfigsconda run -n atst-dev atst abacus prepare config.yaml --structure inputs/init.extxyz --output-dir prepared_abacus --forceconda run -n atst-dev atst abacus collect prepared_abacus --output abacus_results.jsonatst-toolsenvironment.What's changed?
interfaces/ASE_interface/examples/atst_tools/.Governance Checklist
GlobalV,GlobalC, orPARAMcode references are added.CMakeLists.txtupdate is needed.INPUT Parameter Changes
docs/parameters.yamlupdated: not applicable.docs/advanced/input_files/input-main.mdupdated: not applicable.Core Module Impact
source/files are changed.Governance Exception