Fast, modern C++ DSP framework, FFT, Sample Rate Conversion, FIR/IIR/Biquad Filters (SSE, AVX, AVX-512, ARM NEON)
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Updated
May 7, 2024 - C++
Fast, modern C++ DSP framework, FFT, Sample Rate Conversion, FIR/IIR/Biquad Filters (SSE, AVX, AVX-512, ARM NEON)
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
C++ based DFT program for educational purposes
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.
A free open source cross-platform C++ library for parsing ODB++ Design archives, accessing their data, and building net list product models. Exposed via a REST API packaged inside of a Docker image.
GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham density function theory (KS-DFT) on heterogenous architectures.
Density Functional Theory in real space, for atoms, LDA and LSDA
Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
This is a mirror. Please check our main website on gitlab.
A library for using machine-learned exchange-correlation functionals for density-functional theory
Combinational ATPG generator based on D-Algorithm
Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum
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
Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages
Qt interface for agate: https://github.com/piti-diablotin/agate
SIMD discrete Fourier transform tests and discussion
Extensible ND image laboratory
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