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kite

KITE Quantum Transport Software v1.0

libra-code

linuxsettings

Some useful settings for linux.

linux_setup

Simple .vimrc I used.

lqsgwflapw

Linearized self-consistent quasiparticle GW method

metis-python

mitiq

Mitiq is an open source toolkit for implementing error mitigation techniques on most current intermediate-scale quantum computers.

modemap

A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.

mps-in-qiskit

Preparing Matrix Product State in Qiskit

mudslide

Python implementation of Tully's Fewest Switches Surface Hopping

neci_stable

Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.

nessi

The NonEquilibrium Systems SImulation package.

netket

Machine learning algorithms for many-body quantum systems

pauxy

Python Based Auxiliary-Field Quantum Monte Carlo

pawpyseed

Parallel C/Python package for numerical analysis of PAW DFT wavefunctions

personal-website

Code that'll help you kickstart a personal website that showcases your work as a software developer.

phonons

A collection of structures, force constants and phonon data obtained from first-principles calculations

phonopy-spectroscopy

A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.

pomerol

Exact diagonalization, Lehmann's representation, Two-particle Green's functions

potato

pyband

band plot using python matplotlib

pyglib

Python library for preprocessing, managing and postprocessing the (DFT+) Gutzwiller calculations.

pyprocar

A Python library for electronic structure pre/post-processing

pyquil

A Python library for quantum programming using Quil.

q-e

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

qball

Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.

qcs-paper

Binder repository of supplementary interactive notebooks for the QCS paper.

qiskit-aqua

Quantum Algorithms & Applications in Python.

qiskit-forest

Forest backend for Qiskit

qiskit-textbook

A university quantum algorithms/computation course supplement based on Qiskit