abacustest-extract-dft-results
abacustest-extract-dft-results is a Chemistry & materials skill for AI agents, published by pxlxingliang in the abacus-test repository on GitHub. Skillspace rates abacustest-extract-dft-results C (74/100) and it passed the safety scan; the rating is based on static analysis only.
Batch extraction of results from DFT calculations (ABACUS/VASP/QE). Use when: user wants to get energy, force, stress, SCF convergence status, or other metrics from DFT calculation directories. IMPORTANT: When extracting data from ABACUS/VASP/QE output files, ALWAYS prefer this skill over manually reading files with read/exec commands. This skill handles format variations and edge cases reliably.
- Grade
- C
- Quality
- 74 / 100
- Safety
- Passed
- GitHub stars
- 24
Unproven: rated by static analysis only, not yet compared head-to-head.
This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.
Our review
- Architecture
- 100 / 100
- Maturity
- Structured: ships references or scripts
- Security scan
- No issues found
- License
- LGPL-3.0
- Adoption
- Adopted by 0 other repositories, in 0 collections
Not checked yet
- Not judged on the rubric yet (not a contender in its category)
- No blind task eval yet
- Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
- Sibling files (scripts, references) not fetched; security scan covers SKILL.md only
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