hpc-vasp
hpc-vasp is a Chemistry & materials skill for AI agents, published by SciMate-AI in the HPC-Skills repository on GitHub. Skillspace rates hpc-vasp B (81/100) and it passed the safety scan; the rating is based on static analysis only.
Build, review, debug, and automate VASP first-principles workflows. Use when working with VASP input sets such as INCAR, POSCAR, KPOINTS, and POTCAR; when choosing SCF, relaxation, static, DOS, or band-structure stages; or when fixing convergence, symmetry, cutoff, and k-point issues. Also covers magnetic calculations, spin-orbit coupling, hybrid functionals, surface slabs, DFT+U, van der Waals, phonons, molecular dynamics, NEB, and defect calculations.
- Grade
- B
- Quality
- 81 / 100
- Safety
- Passed
- GitHub stars
- 66
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
- MIT
- 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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