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
- Official mirror of Quantum ESPRESSO☆48Updated 8 years ago
- Python framework for generating and validating pseudo potentials☆51Updated 2 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated 2 months ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆65Updated 6 years ago
- Developer repository for the LATTE code☆49Updated this week
- This is the official GPL repository of the yambo code☆126Updated this week
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated 2 months ago
- A test suite for the VASP electronic structure code☆39Updated 12 years ago
- Multiple Scattering Theory code for first principles calculations☆75Updated this week
- Domain specific library for electronic structure calculations☆161Updated this week
- ☆17Updated 8 years ago
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆68Updated last week
- A tool for creating and manipulating tight-binding models.☆41Updated 11 months ago
- JDFTx: software for joint density functional theory☆100Updated 3 weeks ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated 2 months 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
- A high-performance framework for solving phonon and electron Boltzmann equations☆117Updated 3 months ago
- TREX I/O library☆64Updated last week
- Full public release of large scale and linear scaling DFT code CONQUEST☆117Updated this week
- A library of ultrasoft and PAW pseudopotentials☆93Updated 3 years ago
- ERKALE -- HF/DFT from Hel☆52Updated 2 weeks ago
- Many-body dispersion library☆59Updated 3 months ago
- Python modules for electron–phonon models☆38Updated 2 weeks ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Updated 6 months ago
- Open source stochastic quantum chemistry☆79Updated last month
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- ☆22Updated last month
- BerkeleyGW python☆32Updated 4 years ago
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆84Updated last year