Stars
Toolbox for manipulating, optimising, and generating code for Einstein summations
Show node occupancy and job information for the SLURM job system.
The PyPES library of high quality semi-global potential energy surfaces
High-quality PNGs for logos I made for fun
Notes on Electronic Structure Theory (CHEM532)
pbrt 中文整合翻译 基于物理的渲染：从理论到实现 Physically Based Rendering: From Theory To Implementation
《Hello 算法》：动画图解、一键运行的数据结构与算法教程。支持 Python, Java, C++, C, C#, JS, Go, Swift, Rust, Ruby, Kotlin, TS, Dart 代码。简体版和繁体版同步更新，English version ongoing
A computer science textbook
A library for visualization and creative-coding
Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.
public version of our general contraction code project
A C++ library for evaluating non-orthogonal matrix elements in electronic structure
Jupyter notebook for an introduction to atomic-scale machine learning class
A library for X-ray spectrum simulation
Automatic equation of motion coupled cluster generator
Quantum Package : a programming environment for wave function methods
A Julia library for efficient tensor computations and tensor network calculations. ITensors.jl is supported by the Simons Foundation's Flatiron Institute.
A high-performance matrix product state(MPS) algorithms library based on GraceQ/tensor
A copy of OpenMolcas with an interface to Dice (Heat-bath CI), Block (DMRG), and CheMPS2 (DMRG)
General Reference Configuration Interaction package
PyMES is a package for developing new methods in quantum chemistry.
Course material for an undergraduate quantum chemistry lab class