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  1. StrainAnalysis StrainAnalysis Public

    Tool that can be used to separate layers efficiently from multilayer materials and analyze the corrugation on each layer.

    Python 3 1

  2. VASP_tool VASP_tool Public

    VASP_tool is a Python library for analyzing and visualizing VASP output via vaspkit, supporting band structures and DOS plotting with customizable, publication-quality plots.

    Python 1

  3. 3D-Bandstructure-for-VASP 3D-Bandstructure-for-VASP Public

    This repository contains scripts to generate and visualize 3D band structure data from VASP simulations, particularly suited for large supercells (e.g., graphene + COF systems). The scripts automat…

    Python 1

  4. dftb_lattice_opt_tool dftb_lattice_opt_tool Public

    Tool for batch jobs on DFTB+

    Python

  5. Molecular-Dynamics-Analysis-Toolkit Molecular-Dynamics-Analysis-Toolkit Public

    Molecular Dynamics Analysis Toolkit is a Python package for analyzing and visualizing molecular dynamics data, featuring tools for PBC corrections, interaction analysis, PMF calculations, and high-…

    Python

  6. 3D-Bandstructure-for-FHI-AIMS 3D-Bandstructure-for-FHI-AIMS Public

    This repository contains scripts to generate and visualize 3D band structure data from FHI-AIMS simulations, particularly suited for large supercells (e.g., graphene + COF systems). The scripts aut…

    Python