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alist

🗂️A file list program that supports multiple storages, powered by Gin and Solidjs. / 一个支持多存储的文件列表程序，使用 Gin 和 Solidjs。

cs-self-learning

计算机自学指南

getting-started-mtp

Guide to getting started in MSG with python, travis, sphinx, github and general scientific computing.

hea_mechanisms

maml

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

ml-iaps_iron

Potential file and training scripts of multiple machine learning interatomic potentials.

potential_benchmark_iron

Test interatomic potential by Benchmarking with several physical properties using LAMMPS

scalableworkflow_vasp_calculations

Scalable workflow to generate VASP input cases with randomized atomic structures for solid solution binary and ternary alloys that span the entire compositional range

sqs_generation

This tutorial explains how to use ATAT to generate SQS for disordered alloys. It covers basic steps of creating a unit cell, generating cluster information, generating structure and then converting it to POSCAR file

the-way-to-upgrade

程序员练级攻略

vaspdoc