mace
OfficialConfigure ASE MACE backend for ASE workflows.
Authorjinzhezenggroup
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This adapter centralizes and automates the configuration of MACE-backed ASE calculators, ensuring consistent model path, device policy, and precision settings across ASE workflows.
Core Features & Use Cases
- MACE backend configuration: specify model checkpoint/path, device policy (cpu/cuda), and precision policy.
- Workflow integration: supports ASE tasks requiring deterministic inference with a MACE backend and explicit restart/checkpoint behavior.
- Extensibility: defines required inputs (model, device, precision, stress support) and exposes a consistent calculator configuration payload for downstream workflows.
Quick Start
Initialize the MACE-backed ASE calculator adapter by providing a model path and a target device policy for your first ASE workflow.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: mace Download link: https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/archive/main.zip#mace Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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