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  • Flatiron institute
  • 162 5th Ave, New York, NY 10010

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A high-performance framework for solving phonon and electron Boltzmann equations

C++ 99 20 Updated Mar 27, 2025

On-the-fly computation of IR basis functions

Python 24 5 Updated Aug 14, 2024

This aims to be an wrapper to C-MPI3 for C++, using the principles of simplicity, STL, RAII and Boost and enforcing type-safety. This is a mirror of https://gitlab.com/correaa/boost-mpi3.

C++ 22 Updated Oct 11, 2024

Open MPI main development repository

C 2,307 889 Updated Mar 25, 2025

Non-uniform fast Fourier transform library of types 1,2,3 in dimensions 1,2,3

C++ 329 84 Updated Mar 22, 2025

Repository for PseudopotentialLibrary.org website and database

PHP 14 15 Updated Jul 3, 2024

Adaptive Pole Fitting for Quantum Many-Body Physics

Jupyter Notebook 11 2 Updated Jan 17, 2025

Linux shell for iOS

C 17,796 992 Updated Mar 22, 2025

Many-Body Perturbation solvers for Green project

C++ 10 5 Updated Mar 17, 2025

A segment picture impurity solver with spin-spin interactions.

Jupyter Notebook 7 6 Updated Mar 24, 2025

Python module for post processing data from many-body perturbation theory.

Python 7 Updated Mar 5, 2025

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performanc…

C++ 327 145 Updated Mar 27, 2025

BLAS++ is a C++ wrapper around CPU and GPU BLAS (basic linear algebra subroutines), developed as part of the SLATE project.

C++ 77 26 Updated Mar 3, 2025

LAPACK++ is a C++ wrapper around CPU and GPU LAPACK and LAPACK-like linear algebra libraries, developed as part of the SLATE project.

C++ 62 14 Updated Mar 27, 2025

Interface to DFT codes

Python 40 40 Updated Mar 3, 2025

SLATE is a distributed, GPU-accelerated, dense linear algebra library targetting current and upcoming high-performance computing (HPC) systems. It is developed as part of the U.S. Department of Ene…

C++ 110 23 Updated Jan 11, 2025

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

Fortran 585 292 Updated Feb 18, 2025

Official repository of the Wannier90 code

Fortran 254 146 Updated Mar 17, 2025

A YAML parser and emitter in C++

C++ 5,376 1,923 Updated Mar 13, 2025

A high-level C++ interface to the hdf5 library

C++ 5 7 Updated Mar 6, 2025

This list of writing prompts covers a range of topics and tasks, including brainstorming research ideas, improving language and style, conducting literature reviews, and developing research plans.

3,679 322 Updated Jan 25, 2024

Discrete Lehmann representation of imaginary time Green's functions

C++ 11 6 Updated Mar 17, 2025

Library for discrete Lehmann representation of imaginary time Green's functions

Fortran 21 3 Updated Nov 12, 2024

Exact diagonalization solver for quantum electron models

C++ 24 7 Updated Jan 4, 2024

An extremely fast Python linter and code formatter, written in Rust.

Rust 37,259 1,262 Updated Mar 28, 2025

Quick and dirty TRIQS wrapper around the Pomerol exact diagonalization library

Python 9 7 Updated Jan 2, 2025
Jupyter Notebook 1 Updated Mar 14, 2024

ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or qsGW calculations with an impurity problem describing strong …

Roff 34 14 Updated Dec 7, 2023

A lil' TOML parser

Python 501 45 Updated Mar 3, 2025

Header-only TOML config file parser and serializer for C++17.

C++ 1,691 166 Updated Mar 14, 2025
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