Xiao Liu's repositories
EZSCF
EZSCF is the name of this purely Python-based RHF/RMP2 program of atomic systems, mainly used for the bachelor's thesis of Xiao Liu @ BNU. The name EZSCF is a homophone with "Easy SCF" and also a pun on the initial Chinese Pinyin letters of Xiao's beloved Alma Mater, Hangzhou No.2 High School (aka 杭州二中 or HZEZ).
github-slideshow
A robot powered training repository :robot:
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.
bagel
Brilliantly Advanced General Electronic-structure Library
ce-tddft
Real-time TDDFT for Quantum-Espresso
Chinese-Landscape-Painting-Dataset
Dataset used for WACV 2021 paper: "End-to-End Chinese Landscape Painting Creation Using Generative Adversarial Networks"
cp2k
Quantum chemistry and solid state physics software package
cppe
C++ and Python library for Polarizable Embedding
CUDA-Programming-with-Python
关于书籍CUDA Programming使用了pycuda模块的Python版本的示例代码
cython
The most widely used Python to C compiler
hugo-theme-pure
A pure theme for Hugo
janus
Python library for adaptive QM/MM methods
JuliaChem.jl
A research-grade quantum chemistry program written in Julia
Learn-Vim
A book for learning the Vim editor the smart way.
libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
libmsym
molecular point group symmetry lib
McMurchie-Davidson
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
MOLFDIR
Program for Molecular Fock Dirac calculations
mrh
MRH's research code
OpenFermion
The electronic structure package for quantum computers.
ProgrammingProjects
C++ Programming Tutorial in Chemistry
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
pybbfmm
Black-box fast multipole method package for Python
PyQchem
Python interface for Q-Chem
q-e
Mirror of the Quantum ESPRESSO repository
qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
RateMySupervisor
永久免费开源的导师评价数据、数据爬虫、无需编程基础的展示网页以及新信息补充平台
tequila
Rapid development of novel quantum algorithms