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abinit

The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.

cif2cell-lammps

cij

Semiemperical quasiharmonic thermal elasticity

dpgen

The deep potential generator

dynaphopy

Phonon anharmonicity analysis from molecular dynamics

hefestorepository

Repository of the HeFESTo code

koushare-dl

KouShare-dl是一个用于从“蔻享学术”视频网站下载视频和课件、录制直播的命令行工具。

modelarts-lab

ModelArts-Lab是示例代码库。更多AI开发学习交流信息，请访问华为云AI开发者社区：huaweicloud.ai

paddleocr

Awesome multilingual OCR toolkits based on PaddlePaddle (practical ultra lightweight OCR system, support 80+ languages recognition, provide data annotation and synthesis tools, support training and deployment among server, mobile, embedded and IoT devices)

qha

A pure Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations

seekpath

A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures

sod

Site-Occupation Disorder

supercell

The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.

vasp_script

Useful scripts for VASP

wugroup