gabrielmoreira ASE Workflows Router
Use this skill as the top-level ASE workflow orchestration layer.
Purpose
This skill routes requests to one task-specific workflow subskill path:
ase/ase-workflows/staticase/ase-workflows/relaxase/ase-workflows/mdase/ase-workflows/neb
Scope
This router skill should:
- classify user intent into one ASE workflow type
- collect minimal task context (goal, convergence target, outputs)
- delegate detailed workflow controls to selected subskill
- request calculator backend via
ase/ase-calculatorsrouter - enforce consistent output/handoff policy
This router skill should not:
- hardcode backend-specific calculator parameters
- execute or submit calculations directly
Routing rules
- single-point energy/force/stress ->
ase/ase-workflows/static - geometry optimization ->
ase/ase-workflows/relax - finite-temperature trajectory ->
ase/ase-workflows/md - reaction path / transition-state pathway ->
ase/ase-workflows/neb
If intent is ambiguous, ask one focused clarification question.
Shared policy for all workflow subskills
- separate workflow logic from backend adapter logic
- expose assumptions and unresolved choices
- return reproducible task layout and run script
- if execution is requested, hand off to
dpdisp-submit
Output from router
Provide:
- selected workflow subskill path
- why it was selected
- missing minimum inputs (if any)
- explicit next step (invoke selected subskill)