hfp / xconfigureLinks
High-Performance configuration patterns and recipes.
☆45Updated last week
Alternatives and similar repositories for xconfigure
Users that are interested in xconfigure are comparing it to the libraries listed below
Sorting:
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆55Updated this week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- Python framework for generating and validating pseudo potentials☆50Updated 2 years ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆65Updated 5 years ago
- Official mirror of Quantum ESPRESSO☆48Updated 7 years ago
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated last month
- This is the official GPL repository of the yambo code☆126Updated last month
- Developer repository for the LATTE code☆46Updated 3 months ago
- TREX I/O library☆64Updated 3 weeks ago
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆67Updated this week
- The mainline development distribution for QWalk☆35Updated 6 years ago
- Benchmark calculations with Quantum Espresso☆15Updated last year
- Multiple Scattering Theory code for first principles calculations☆75Updated this week
- Many-body dispersion library☆59Updated 2 months ago
- Quantum Monte Carlo package, TurboRVB☆31Updated last month
- Full public release of large scale and linear scaling DFT code CONQUEST☆116Updated last month
- A tool for creating and manipulating tight-binding models.☆41Updated 10 months ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆113Updated 3 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Updated 3 years ago
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆20Updated 7 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated last month
- Python modules for electron–phonon models☆37Updated 2 weeks ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 4 years ago
- Domain specific library for electronic structure calculations☆160Updated this week
- ERKALE -- HF/DFT from Hel☆52Updated last month
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated last month
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆35Updated last month
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- BerkeleyGW python☆32Updated 4 years ago