Pinned Repositories
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.
kproj
KPROJ: A Band Unfolding Program
PWDFT.jl
Plane wave density functional theory using Julia programming language
Statistic-for-MD
Statistic for MD
tdep
The Temperature Dependent Effective Potentials (TDEP) code
wannier90
Official repository of the Wannier90 code
wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation:
Zhuyonghao_public
Sharing the codes
NightOwl's Repositories
Crazy-Rookie/Zhuyonghao_public
Sharing the codes
Crazy-Rookie/Statistic-for-MD
Statistic for MD
Crazy-Rookie/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.
Crazy-Rookie/cp2k
Quantum chemistry and solid state physics software package
Crazy-Rookie/elphbolt
A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
Crazy-Rookie/PWDFT.jl
Plane wave density functional theory using Julia programming language
Crazy-Rookie/wannier90
Official repository of the Wannier90 code
Crazy-Rookie/wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation:
Crazy-Rookie/alamode
Ab initio simulator for thermal transport and lattice anharmonicity
Crazy-Rookie/chenggroup.github.io
XMU Chenglab Wiki
Crazy-Rookie/cp2kdata
cp2k postprocessing tools
Crazy-Rookie/Cyber_Training_Workshop_2021
Crazy-Rookie/DeltaSpin
Self-adaptive spin constraint method based on cDFT, embedd in VASP
Crazy-Rookie/DFTK.jl
Density-functional toolkit
Crazy-Rookie/FFTW.jl
Julia bindings to the FFTW library for fast Fourier transforms
Crazy-Rookie/i-pi
i-PI: a universal force engine
Crazy-Rookie/JuliaBasics
The open source version of book `Julia Programming Basics`
Crazy-Rookie/libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
Crazy-Rookie/mudslide
Python implementation of Tully's Fewest Switches Surface Hopping
Crazy-Rookie/nano-qmflows
Package containing several workflows to compute molecular properties for nanomaterials
Crazy-Rookie/ONCVPSP_LDA
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
Crazy-Rookie/pawpyseed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Crazy-Rookie/Perturbo.jl
Post-Processing tools for Perturbo code.
Crazy-Rookie/phonopy
Phonon code
Crazy-Rookie/pyGWBSE
python workflow for GW-BSE calculation
Crazy-Rookie/q-e
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
Crazy-Rookie/taichi
Productive & portable high-performance programming in Python.
Crazy-Rookie/Tutorials_Libra
Tutorials showcasing various capabilities of Libra
Crazy-Rookie/unixmd
Crazy-Rookie/Yao.jl
Extensible, Efficient Quantum Algorithm Design for Humans.