codex

Atoms Plugin

Local ASE-based atomistic structure utilities for Codex.

0 on GitHubby Local developerv0.1.1MITupdated 1 month agoProductivity

Plugin atoms-plugin in hheei/codex-mono. Commands read from the repo's manifest — 1 month ago.

What it installs

Skills (3)

  • atoms-skill

    Use ASE for atomistic and molecular simulation structure handling, including converting, slicing, and inspecting CIF, POSCAR/CONTCAR, VASP outputs, extxyz/xyz trajectories, LAMMPS-style structures where ASE supports them, and ABACUS STRU or STRU_ION*_D files. Use when the user asks to convert struct

  • ppafm-skill

    Use when a user asks to generate, rerun, tune, debug, or compare PPAFM/AFM images from VASP outputs, especially on a remote Slurm host. Covers checking the remote uv/PPAFM/Slurm environment, preparing a non-destructive rerun, producing remote df/PNG results, and diagnosing force-field or grid mismat

  • vasp-helper

    當使用者需要建立 VASP static 單點重跑、沿用 CHGCAR/TAUCAR、診斷 INCAR/OUTCAR、處理 vaspwave.h5、Bader、平面平均、CHGCAR 對比、運行目錄整理或 VASP 源碼映射時使用。

View source on GitHub

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