Walter-Feng

Hartree-Fock-in-CPP

Hartree-Fock code written in full C++ standard

Hartree-Fock

A demonstration of Hartree Fock program

cc_wick_parser

A parser that helps contract the creation/annihilation operators with phase factor

Full-CI

GT7-Race-Automation-daytona

AFK credit grinding in GT7, specialized for Daytona custom race, ver. 1.40.

Quartz

A simple semi-classical dynamics package

SincDVR

A DVR program based on sinc function

-II

Reports of Mid-Chemical-Experiment II written in .tex

coupled-cluster-equations

gpu4pyscf

Torque

A block-sparse tensor operation library with utilization of CUDA

zjuthesis

Zhejiang University Graduation Thesis/Design LaTeX template.

cp2k

Quantum chemistry and solid state physics software package

cpp-template

A generic template for C++ project

heat-conduct-in-julia

simulates heat conduct using julia language

HomebrewLib

A homebrew library containing reusable functions

MaTeX

LaTeX labels in Mathematica

Mathematica-Files

The work done using Mathematica.

myModule

note-for-quantum-mechanics

Collects the note for quantum mechanics

Overlap

Calculate overlap matrix of a molecule

ProgrammingProjects

C++ Programming Tutorial in Chemistry

pyblock3-preview

pyblock3: An Efficient python MPS/DMRG Library

pyscf

Python module for quantum chemistry

QcoreUtils

Utilities for generating entos Qcore input files and app tests, with the current focus on periodic xTB

TutorialZH.jl

Julia语言的中文教程