mechanics-analysis

Standalone skill for mechanics-relevant DFT result analysis, including EOS fit quality, elastic-stability heuristics, anisotropy/hardness descriptors, and multi-candidate screening.

Install

npx skills add chatmaterials/mechanics-analysis -g -y

Local Validation

python3 -m py_compile scripts/*.py
npx skills add . --list
python3 scripts/analyze_equation_of_state.py fixtures/eos/eos.dat --json
python3 scripts/analyze_elastic_tensor.py fixtures/elastic/elastic_tensor.dat --json
python3 scripts/analyze_stress_state.py fixtures/stress/stress_tensor.dat --json
python3 scripts/compare_mechanical_candidates.py fixtures fixtures/candidates/noisy-eos fixtures/candidates/soft fixtures/candidates/hard-brittle --bulk-min 120 --bulk-max 180 --json
python3 scripts/export_mechanics_report.py --eos-path fixtures/eos/eos.dat --elastic-path fixtures/elastic/elastic_tensor.dat --stress-path fixtures/stress/stress_tensor.dat
python3 scripts/run_regression.py