mstsuite / lsmsLinks
LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
☆28Updated 2 months ago
Alternatives and similar repositories for lsms
Users that are interested in lsms 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
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆46Updated this week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- TREX I/O library☆64Updated this week
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- Multiple Scattering Theory code for first principles calculations☆75Updated last week
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated 2 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 this week
- Quantum Monte Carlo package, TurboRVB☆31Updated 2 months ago
- A CUDA-implementation of linear-scaling quantum transport methods☆28Updated 2 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Updated 6 months ago
- interacting Dynamic Electrons Approach☆28Updated 2 months ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆117Updated last month
- High-Performance configuration patterns and recipes.☆45Updated this week
- optking: A molecular geometry optimization program☆26Updated 5 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆56Updated 3 weeks ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆28Updated 2 weeks ago
- Code generator for simint vectorized integrals☆29Updated 2 years ago
- This is the official GPL repository of the yambo code☆126Updated this week
- Developer repository for the LATTE code☆48Updated 4 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆85Updated last year
- Python-based Fermi-Löwdin orbital self-interaction-correction☆23Updated 3 years ago
- Open Source Exascale Quantum Chemistry Software☆30Updated this week
- Reusable DFT Grids for the Masses☆19Updated 4 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆56Updated 2 weeks ago
- Python modules for electron–phonon models☆38Updated last week
- ☆22Updated last month
- A high-performance framework for solving phonon and electron Boltzmann equations☆117Updated 3 months ago
- Many-Body Perturbation solvers for Green project☆13Updated last week
- A poor man's density functional theory program☆14Updated this week