mcpbeat

Static

jinzhezenggroup/computational-chemistry-agent-static

Prepare 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.

288 tokens
context cost
the whole folder, loaded on every use
1
files
instructions only
0
copies elsewhere
how many repositories repackaged it
118
stars on the repo
on the repository, not the skill itself

Install

one command, takes just this skill from the repository 
npx skills add https://github.com/jinzhezenggroup/computational-chemistry-agent-skills --skill static

The instruction itself

5 sections, as written by the author

ABINIT Static (Subskill)

Scope

This skill prepares static tasks only.

It should generate:

  • ABINIT input for static SCF
  • pseudopotential mapping summary
  • output/restart naming policy

It should not submit or execute jobs.

Must provide

  • structure input
  • XC functional choice
  • cutoff and k-point policy
  • SCF convergence policy

Usually should be explicit

  • charge/spin setup
  • smearing/occupancy policy for metallic systems
  • mixing/iteration controls

Expected output

  • static-task input layout
  • settings summary and assumptions
  • unresolved choices for confirmation
  • handoff note to dpdisp-submit if execution is requested

How to use it

Copy the folder

Take jinzhezenggroup/computational-chemistry-agent-static from the repository into ~/.claude/skills for personal use, or into .claude/skills inside a project.

Check the name does not clash

The agent identifies a skill by the name field in its header. Two skills with the same name cannot sit side by side — one of them will be ignored.