Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages

Multithreaded Direct Fourier Transformation of atom probe data.

DFT and FFT using Intel TBB

PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches

Arduino mini car controlled by music notes

In this tutorial you will learn how to investigate an image by Power spectrum density (PSD) in a moving window

Discrete Fourier Transform using OpenCV

converts a VASP POSCAR to a Quantum ESPRESSO input file

Projekt na zajęcia z Transmisji Danych WI ZUT 2020

Combinational ATPG generator based on D-Algorithm

Some image processing techniques have been implemented using opencv library.

2D DFT and 2D DCT of images

A library for using machine-learned exchange-correlation functionals for density-functional theory

Aplicación para que extrae la DFT (Transformada Discreta de Fourier) del audio de entrada del ordenador y la muestara en un grafico en 2D en tiempo real

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

Density Functional Theory Code for a polymer film + colloids

Fun with Phi!

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

This repo includes; Image Negative, Logarithmic Transformation, Power-Law (Gamma) Transformation, Averaging Filter, Median Filter, Laplacian Filter, Sobel Gradiant, Histogram Equalization, DFT, Marr and Hildreth, Otsu Thresholding, Global thresholding

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.