solid_dmft
solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS - Published in JOSS (2022)
lattice_mc
lattice_mc: A Python Lattice-Gas Monte Carlo Module - Published in JOSS (2017)
polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories
polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories - Published in JOSS (2021)
tightbinder
tightbinder: A Python package for semi-empirical tight-binding models of crystalline and disordered solids - Published in JOSS (2024)
SHGYield
SHGYield - Published in JOSS (2017)
sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
pyscal
pyscal: A python module for structural analysis of atomic environments - Published in JOSS (2019)
https://github.com/abinit/abipy
Open-source library for analyzing the results produced by ABINIT
lattpy
Simple and efficient Python package for modeling d-dimensional Bravais lattices in solid state physics.
hextof-processor
Code for preprocessing data from the HEXTOF instrument at FLASH, DESY in Hamburg (DE)
preprint-repro-jpcc2020
Reproducible manuscript containing all data and code behind J. Phys. Chem. C 2020, 124, 11 6395–6404
https://github.com/mineralscloud/pyqha.jl
A Julia-Python interface of https://github.com/MineralsCloud/qha
https://github.com/mineralscloud/quantumespressoexpress.jl
A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO
https://github.com/singularitti/vaspseudopotentials.jl
Vienna Ab initio Simulation Package (VASP) pseudopotentials format
grogupy
Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.
sitator
Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
sstc
(S)olid (s)tate (T)ask (C)onstructor: A high-perfomance computing oriented library to create integration and sampling tasks in the BZ of a crystal for k-dependent functions.