De la autor
Prepare VASP band-structure workflow inputs from existing SCF context and user-specified band-path settings. Use when the user requests electronic band-structure calculations and needs explicit prerequisite checks, line-mode KPOINTS path setup, and stage-specific INCAR preparation.
Instalare
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill band -a claude-code
Se instalează în .claude/skills/band/ · Fiecare comandă descarcă skill-ul direct de pe GitHub cu utilitarul open source skills.
Fără descărcare: licența acestui skill (LGPL-3.0) nu ne permite să-i redistribuim fișierele. Comenzile de instalare le iau direct de pe GitHub.
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Verificări de siguranță pe SKILL.md
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De ce 82
aiqbench calculează scorul de încredere din semnale publice. Nu este un audit de securitate, așa că citește un skill înainte să-l instalezi.
Skill-uri similare
Cele mai apropiate de acesta prin ce fac și când sunt folosite.
- dosjinzhezenggroup/computational-chemistry-agent-skillsPrepare VASP DOS workflow inputs from existing SCF artifacts and user-specified DOS settings. Use when the user requests total/projected DOS setup and needs INCAR/KPOINTS preparation with explicit prerequisite checks against prior SCF runs.Planificare★ 154
- staticjinzhezenggroup/computational-chemistry-agent-skillsPrepare ABINIT single-point (static) task inputs from a user-provided structure and essential DFT settings. Use when the user needs total-energy/electronic SCF evaluation with explicit ABINIT cutoff, k-point, and SCF controls.Productivitate★ 154
- dft-vaspjinzhezenggroup/computational-chemistry-agent-skillsRoute VASP DFT requests to task-specific subskills based on user intent. Use when the user asks for VASP workflows and you must decide between static SCF, relaxation, DOS, or band-structure task preparation. This orchestration skill does not own detailed input generation logic; it dispatches to the correct VASP subskill and enforces consistent handoff to submission skills.Planificare★ 154
- relaxjinzhezenggroup/computational-chemistry-agent-skillsPrepare VASP geometry-relaxation input tasks from a user-provided structure and essential DFT settings. Use when the user needs ionic or cell-coupled relaxation and requires explicit ISIF-driven relaxation intent mapping, INCAR generation, and POTCAR mapping instructions.Productivitate★ 154
- electronicjinzhezenggroup/computational-chemistry-agent-skillsPrepare CP2K electronic-analysis task inputs from prior converged context. Use when the user requests post-ground-state electronic analyses and needs prerequisite-aware setup.Productivitate★ 154
- spec-workflowTencentCloudBase/CloudBase-AI-ToolkitUse when medium-to-large changes need explicit requirements, technical design, and task planning before implementation, especially for multi-module work, unclear acceptance criteria, or architecture-heavy requests.Planificare★ 1.1K
Note și recenzii
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