QEF / q-e_oldLinks
Official mirror of Quantum ESPRESSO
☆48Updated 8 years ago
Alternatives and similar repositories for q-e_old
Users that are interested in q-e_old are comparing it to the libraries listed below
Sorting:
- JDFTx: software for joint density functional theory☆100Updated 3 weeks ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- This is the official GPL repository of the yambo code☆126Updated this week
- A library of ultrasoft and PAW pseudopotentials☆93Updated 3 years ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆117Updated this week
- A tool for creating and manipulating tight-binding models.☆41Updated 11 months ago
- Open-source library for analyzing the results produced by ABINIT☆134Updated 3 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆85Updated last year
- ☆60Updated 7 months ago
- TREX I/O library☆64Updated this week
- ASE density-functional tight-binding calculator☆68Updated last year
- 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
- ase interface for Quantum Espresso☆68Updated 5 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
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated 2 months ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆117Updated 3 months ago
- Command-line utilities and Python libraries designed to make life with VASP easier☆56Updated 6 years ago
- Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.☆46Updated 7 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Updated 6 months ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Updated 6 years ago
- ☆24Updated this week
- 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
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆25Updated last month
- ERKALE -- HF/DFT from Hel☆52Updated 2 weeks ago
- ☆48Updated this week
- Analysis of quantum chemical interactions in molecules and solids.☆114Updated last week
- Many-body dispersion library☆59Updated 3 months ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆100Updated 11 months ago
- Multiple Scattering Theory code for first principles calculations☆75Updated this week