hfp / xconfigureLinks
High-Performance configuration patterns and recipes.
☆45Updated this week
Alternatives and similar repositories for xconfigure
Users that are interested in xconfigure are comparing it to the libraries listed below
Sorting:
- Official mirror of Quantum ESPRESSO☆47Updated 7 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆51Updated this week
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆64Updated 5 years ago
- Python framework for generating and validating pseudo potentials☆48Updated last year
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Updated 3 months ago
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆64Updated this week
- 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☆121Updated this week
- Developer repository for the LATTE code☆46Updated 3 weeks ago
- Domain specific library for electronic structure calculations☆155Updated this week
- A test suite for the VASP electronic structure code☆39Updated 11 years 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
- ☆21Updated 2 weeks ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated last week
- Full public release of large scale and linear scaling DFT code CONQUEST☆116Updated 2 months ago
- TREX I/O library☆61Updated last month
- JDFTx: software for joint density functional theory☆93Updated last week
- Multiple Scattering Theory code for first principles calculations☆70Updated 3 weeks ago
- A tool for creating and manipulating tight-binding models.☆40Updated 7 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Updated 2 years ago
- Python modules for electron–phonon models☆36Updated last week
- Atomistic Manipulation Toolkit☆36Updated last month
- ☆17Updated 8 years ago
- A library of ultrasoft and PAW pseudopotentials☆88Updated 3 years ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆108Updated last week
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆88Updated this week
- A poor man's density functional theory program☆14Updated this week
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Qbox public repository☆36Updated 6 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆71Updated 3 months ago