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KPROJ: A Band Unfolding Program

Fortran 38 18 Updated Feb 6, 2025

Maple Mono: Open source monospace font with round corner, ligatures and Nerd-Font for IDE and command line, fine-grained customization options. 带连字和控制台图标的圆角等宽字体,中英文宽度完美2:1,细粒度的自定义选项

Python 6,803 104 Updated Feb 8, 2025

Jupyter notebooks for teaching/learning Python 3

HTML 6,533 1,775 Updated Jan 4, 2024

以撸代码的形式学习Python

Jupyter Notebook 7,785 3,976 Updated Jan 5, 2025

✔(已完结)最全面的 深度学习 笔记【土堆 Pytorch】【李沐 动手学深度学习】【吴恩达 深度学习】

Jupyter Notebook 6,976 897 Updated Dec 26, 2024

一个基于 PDFFigure2 的 PDF 图表解析插件

JavaScript 451 11 Updated Nov 19, 2024

An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix

C 79 15 Updated Feb 6, 2025

Custom environment for DeepH development

Jupyter Notebook 1 Updated Aug 25, 2024

Test Calculation Code for Numerical Atomic Orbital

Makefile 1 Updated Jan 22, 2019

Numerical atomic orbital based methods

Python 8 2 Updated May 23, 2022
Python 22 4 Updated Oct 17, 2024

Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)

Python 38 16 Updated Jan 17, 2025

Tight-binding package written in Julia

Julia 55 9 Updated Nov 19, 2023

Basics on Exact Diagonalization

Python 82 16 Updated Feb 23, 2018

A code to generate atomic structure with symmetry

Python 292 71 Updated Feb 8, 2025

Density-functional toolkit

Julia 456 91 Updated Feb 7, 2025

A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files

C 15 6 Updated Jan 12, 2021

《李宏毅深度学习教程》(李宏毅老师推荐👍,苹果书🍎),PDF下载地址:https://github.com/datawhalechina/leedl-tutorial/releases

Jupyter Notebook 14,392 2,958 Updated Feb 1, 2025

Additional code for carrying out neural network modeling of hybrid DFT Hamiltonians (arxiv.org/abs/2302.08221)

Python 9 Updated Aug 29, 2024

Extended DeepH (xDeepH) method for magnetic materials.

Python 35 4 Updated Jun 14, 2023

HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals

Python 16 1 Updated Nov 21, 2024

A patch for OpenMX package used to quickly compute overlap matrices for large-scale materials structure.

C 8 3 Updated Jul 19, 2022
Python 85 21 Updated Apr 4, 2023

Deep neural networks for density functional theory Hamiltonian.

Python 257 52 Updated Oct 7, 2024

深度学习500问,以问答形式对常用的概率知识、线性代数、机器学习、深度学习、计算机视觉等热点问题进行阐述,以帮助自己及有需要的读者。 全书分为18个章节,50余万字。由于水平有限,书中不妥之处恳请广大读者批评指正。 未完待续............ 如有意合作,联系[email protected] 版权所有,违权必究 Tan 2018.06

JavaScript 55,308 15,928 Updated Jun 26, 2024

A new markup-based typesetting system that is powerful and easy to learn.

Rust 37,291 1,006 Updated Feb 7, 2025