ASE Calculators Router
Use this skill as the top-level ASE calculator adapter layer.
Purpose
This skill routes backend selection to one adapter subskill path:
ase/ase-calculators/gpawase/ase-calculators/mace
Scope
This router skill should:
- identify backend requested by user or workflow
- verify minimum backend prerequisites
- delegate backend-specific calculator configuration
- return adapter configuration summary to workflow layer
This router skill should not:
- own workflow-level logic (
relax,md,nebcontrols) - execute calculations directly
Routing rules
- GPAW backend requested ->
ase/ase-calculators/gpaw - MACE backend requested ->
ase/ase-calculators/mace - if backend unspecified, propose options and ask one focused question
Shared output contract
Return:
- selected adapter path
- backend configuration summary
- unresolved backend prerequisites