NightOwl's repositories
Statistic-for-MD
Statistic for MD
Zhuyonghao_public
Sharing the codes
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.
cp2k
Quantum chemistry and solid state physics software package
elphbolt
A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
PWDFT.jl
Plane wave density functional theory using Julia programming language
wannier90
Official repository of the Wannier90 code
wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation:
alamode
Ab initio simulator for thermal transport and lattice anharmonicity
chenggroup.github.io
XMU Chenglab Wiki
cp2kdata
cp2k postprocessing tools
DeltaSpin
Self-adaptive spin constraint method based on cDFT, embedd in VASP
DFTK.jl
Density-functional toolkit
FFTW.jl
Julia bindings to the FFTW library for fast Fourier transforms
i-pi
i-PI: a universal force engine
JuliaBasics
The open source version of book `Julia Programming Basics`
libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
mudslide
Python implementation of Tully's Fewest Switches Surface Hopping
nano-qmflows
Package containing several workflows to compute molecular properties for nanomaterials
ONCVPSP_LDA
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
pawpyseed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Perturbo.jl
Post-Processing tools for Perturbo code.
phonopy
Phonon code
pyGWBSE
python workflow for GW-BSE calculation
q-e
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
taichi
Productive & portable high-performance programming in Python.
Tutorials_Libra
Tutorials showcasing various capabilities of Libra
Yao.jl
Extensible, Efficient Quantum Algorithm Design for Humans.