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abiflows

High-throughput calculations with Abinit

abipy

Open-source library for analyzing the results produced by ABINIT

agate

Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface

aiida_siesta_plugin

Source code for the AiiDA-Siesta package (plugin and workflows). See wiki

anaddb_irreps

A simple wrapper of the phonopy irreps module for finding irreduciple representations of the phonon modes in anaddb output

banddownfolder

Downfold electron/phonon/magnon/etc Hamiltonian

conda-staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

condensedmatter_jupyter

converttoddb

The converter from phonopy files to abinit DDB files.

dpdata

Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.

dpdata_abinit

Abinit plugin for dpdata

elphbolt

A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.

epwparser

Python parser to EPW files

flare

An open-source Python package for creating fast and accurate atomistic potentials.

flos

Lua scripts for interfacing SIESTA to Lua scripts using the flook code

greenx

hamiltonio

A library of IO of Hamiltonian files of DFT codes

hexu_doc

hexu_doc2

homebrew-tap

Homebrew tap for Abinit

interphon

Interfacial Phonon code

isomode

juliadft

A density functional theory (DFT) package using Julia.

jupyter_notebooks

lawaf

This package is for constructing of the LAttice Wannier Functions and other types of Wannier functions.

libdipdip

library for dipole-dipole interaction computation

mailhexu.github.io

matgl

Graph deep learning library for materials

matjes

MC and SD

minimulti

Minimal but multi models in condensed matter physics (and more).