lanl / LATTELinks
Developer repository for the LATTE code
☆46Updated last month
Alternatives and similar repositories for LATTE
Users that are interested in LATTE are comparing it to the libraries listed below
Sorting:
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated this week
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆54Updated this week
- MultiResolution Chemistry☆36Updated 2 weeks ago
- Many-body dispersion library☆56Updated 3 weeks ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆89Updated 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…☆65Updated last month
- Library first implementation of the D3 dispersion correction☆73Updated 2 months ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆116Updated this week
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated 2 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated 2 weeks ago
- ASE density-functional tight-binding calculator☆66Updated 9 months ago
- MolSSI Integral Reference Project☆26Updated 4 years ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆40Updated this week
- TREX I/O library☆61Updated 2 months ago
- An API for the Polarizable Continuum Model☆36Updated 2 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Resources for teaching quantum chemistry courses in Bonn☆42Updated 3 months ago
- ☆21Updated last month
- This is the official GPL repository of the yambo code☆121Updated last month
- 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
- ERKALE -- HF/DFT from Hel☆52Updated 3 weeks ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆45Updated 2 years ago
- Python-based plane wave density functional theory code for educational purposes☆33Updated 8 months ago
- Python framework for generating and validating pseudo potentials☆48Updated 2 years ago
- Open Source Exascale Quantum Chemistry Software☆28Updated 2 weeks ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Updated 2 years ago
- A poor man's density functional theory program☆14Updated this week
- QE-GIPAW for Quantum-Espresso (official repository)☆38Updated 2 months ago
- Efficient and easy to use fortran implementation of the Ewald summation method☆19Updated 2 years ago
- Open source stochastic quantum chemistry☆76Updated 3 weeks ago