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v1.3.4

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@bowen-bd bowen-bd released this 17 Aug 19:39
· 149 commits to main since this release
v1.3.4
9e990c0

What's Changed

Repository Stats

Component v1.3.3 v1.3.4 Added
Skills 128 129 +1
Workflows 9 9 —
MCP Tools 49 49 —
Tool Servers 20 20 —

New Skills

Skill Description Author
mat-edi-mobility Compute defect-limited carrier mobility and electron-defect scattering matrix elements in 2D and 3D semiconductors from first principles with Quantum ESPRESSO and the EDI plugin. @cz2014

Other Highlights

  • Defect-Limited Mobility: Added the mat-edi-mobility skill to compute defect-limited carrier mobility and electron-defect scattering matrix elements in 2D/3D semiconductors using Quantum ESPRESSO and the EDI plugin.
  • QHA Thermal Expansion: Exposed --fmax and --max_steps in mat-qha-thermal-expansion to prevent convergence stalls on MLIP forces; added optional --volume_window control while preserving field-standard volume window defaults and updating strain convention documentation.
  • Toxicity & Hazard Triage: Added GHS acute oral toxicity category profiling and consensus GHS code extraction to chem-hazard-toxicity.
  • Claude Code Native Integration: Registered .agents/skills as native Claude Code project skills when configuring agent integrations.
  • Synthesis Recommendation: Enhanced Materials Project API compatibility in mat-synthesis-recommendation for newer mp-api synthesis endpoints.
  • Linter & Code Hygiene: Configured ruff per-file-ignores for E402 in pyproject.toml and removed redundant inline noqa comments across MCP servers and skill scripts.
  • Documentation & Citations: Updated the paper citation in README.md to reflect publication year 2026.

Contributors

cz2014
Assets 2
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