From the author
Prepare ABINIT electronic-analysis task inputs from prior converged context. Use when the user requests post-ground-state electronic analyses and needs prerequisite-aware setup.
Install
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill electronic -a claude-code
Installs to .claude/skills/electronic/ · Each command fetches the skill straight from GitHub with the open skills CLI.
Download .zip
Byte-identical to the scanned commit, with the repository’s licence and a SOURCE.txt.
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 84
Security100
Provenance66
Maintenance100
Licence100
Adoption37
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 ABINIT 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 convergence controls.Productivity★ 154
- dft-abinitjinzhezenggroup/computational-chemistry-agent-skillsRoute ABINIT requests to task-specific subskills based on user intent. Use when the user asks for ABINIT workflows and you must decide between static, relaxation, molecular dynamics, or electronic-analysis preparation. This orchestration skill dispatches to the correct ABINIT subskill and enforces consistent handoff to submission skills.Planning★ 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.Productivity★ 154
- prepare-regressiontrailofbits/skillsUse when pinning before/after sources and collecting PR or commit context for a regression investigation.Finance★ 7.8K
- bandjinzhezenggroup/computational-chemistry-agent-skillsPrepare GPAW band-structure workflow scripts from existing ground-state context and user-specified k-path settings. Use when the user requests electronic band-structure calculations with explicit prerequisite checks and path-definition handling.Planning★ 154
- mdjinzhezenggroup/computational-chemistry-agent-skillsPrepare ABINIT 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
Ratings & reviews
—
no reviews
Tried this skill? Rate it to help others. Sign in
Discussion
Join the discussion. Sign in