From the author
Prepare DFTB+ single-point (static) task inputs from a user-provided structure and essential SCC/settings choices. Use when the user needs total-energy/electronic single-point evaluation.
Install
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill static -a claude-code
Installs to .claude/skills/static/ · Each command fetches the skill straight from GitHub with the open skills CLI.
No download: this skill’s licence (LGPL-3.0) does not let us redistribute its files. The install commands fetch them from GitHub instead.
Want your agent to suggest skills while you type? See how to use skills from your IDE.
Safety checks on SKILL.md
No warnings.
Why 82
aiqbench computes the trust score from public signals. It is not a security audit, so read a skill before you install it.
Similar skills
Closest to this one by what they do and when they are used.
- relaxjinzhezenggroup/computational-chemistry-agent-skillsPrepare SIESTA geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization with explicit force/stress controls.Productivity★ 154
- electronicjinzhezenggroup/computational-chemistry-agent-skillsPrepare SIESTA electronic-analysis task inputs from prior converged context. Use when the user requests post-ground-state electronic analyses and needs prerequisite-aware setup.Productivity★ 154
- mdjinzhezenggroup/computational-chemistry-agent-skillsPrepare SIESTA molecular-dynamics task inputs from a user-provided structure and MD controls. Use when the user needs finite-temperature trajectories with explicit ensemble, timestep, and thermostat controls.Productivity★ 154
- dftbplusjinzhezenggroup/computational-chemistry-agent-skillsRoute DFTB+ requests to task-specific subskills based on user intent. Use when the user asks for DFTB+ workflows and you must decide between static, relaxation, molecular dynamics, or electronic-structure post-ground-state preparation. This orchestration skill dispatches to the correct subskill and enforces consistent handoff to submission skills.Planning★ 154
- static-checkGoldziher/ai-rulezRuns the bundled static checks on the working tree. Use before committing.Other★ 163
- productivity-updateBevel-Software/HexisSync tasks and refresh memory from your current activity. Use when pulling new assignments from your project tracker into TASKS.md, triaging stale or overdue tasks, filling memory gaps for unknown people or projects, or running a comprehensive scan to catch todos buried in chat and email.Productivity★ 120
Ratings & reviews
—
no reviews
Tried this skill? Rate it to help others. Sign in
Discussion
Join the discussion. Sign in