SHIYU PENG's repositories
arxiv_download
To search and download arxiv papers. If published, then it downloads the published one (if accessible).
atom2020
calculate atomic problem and label atomic eigen wavefunctions with good quantum numbers as well as irreps of point group.(just for paramagnetic situation now)
CyGutz
A versatile Gutzwiller solver to optimize the single Slater determinant and local many-body degrees of freedom simultaneously within the Gutzwiller approximation or equivalently Slave-boson approach.
edrixs
An open source toolkit for simulating RIXS spectra based on ED
elphbolt
A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
ferminet
An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
hello-world
the repository
iqist
Interacting Quantum Impurity Solver Toolkit
MyAlfred
This is where I am keeping my Alfred 2, Alfred 3, and Alfred 4 workflows.
NSLSII-CFN-edrixs-tutorial
Slides and examples of edrixs tutorial for the 2019 NSLS-II & CFN User's meeting
optimize_test
test of optimize and root search of fortran code
perturbo-workshop-2023
Material for Perturbo Workshop September 2023
perturbopy
Suite of Python scripts for Perturbo testing and postprocessing
pyprocar
A Python library for electronic structure pre/post-processing
SciFortran
A library of fortran modules and routines for scientific calculations (*in a way* just like scipy for python)
spglib
C library for finding and handling crystal symmetries
SSSS
Spring School @ Song Shan Lake
TBmodels
A collection of non-interacting Tight Binding models, often used as a basis for interacting problem calculations.
test_cuda
some fortarn code for cuda-fortran testing
UFlib
some useful scripts
Yao.jl
Extensible, Efficient Quantum Algorithm Design for Humans.
YoudaoTranslator
Alfred Youdao Translate Workflow