dft

Fast, modern C++ DSP framework, FFT, Sample Rate Conversion, FIR/IIR/Biquad Filters (SSE, AVX, AVX-512, ARM NEON)

Noise is an Android wrapper for kissfft, a FFT implementation written in C.

DCT (discrete cosine transform) functions for pytorch

JARVIS-Tools: an open-source software package for data-driven atomistic materials design

A Python library for electronic structure pre/post-processing

Scientific Python toolbox for large scale tight-binding and electronic structure calculations (DFT and NEGF analysis)

Fast Fourier transform in MicroPython's inline ARM assembler.

Fixing the VASP2WANNIER90v2 interface

XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives

Set of quantum chemistry programs and libraries

Numerical integration grid for molecules.

A complete Open Source Design for Testing (DFT) Solution

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.

Taking an audio signal (wav) and converting it into a spectrogram. Written in Go programming language.

Amazingly simple Fourier transform library for Java

Python framework for generating and validating pseudo potentials

C++ based DFT program for educational purposes

a python package for computing magnetic interaction parameters

Simulates pruned DFT spread FBMC and compares the performance to OFDM, SC-FDMA and conventional FBMC. The included classes (QAM, DoublySelectiveChannel, OFDM, FBMC) can be reused in other projects.

DENSITY FUNCTIONAL THEORY EXERCISES

Multi-NILM: Multi Label Non Intrusive Load Monitoring

Python tool to manipulate Gaussian cube files

Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry

Interatomic potential creating using DFT training data.

Javascript port of Ooura FFT implementation

DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

A repository for the implementation of common workflow interfaces across materials-science codes and plugins

First implementation of the audio synchronization feature for Vidify, now abandoned in place of https://github.com/vidify/vidify/tree/master/src/audiosync

Real-time TDDFT for Quantum-Espresso