LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
☆28Mar 25, 2026Updated 5 months ago
Alternatives and similar repositories for lsms
Users that are interested in lsms are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Multiple Scattering Theory code for first principles calculations☆77Updated this week
- Install script collection for open-source software☆14Jul 10, 2026Updated last month
- A Python library for crystallographic symmetry operations and Symmetry-Adapted Multipole Basis (SAMB).☆14Updated this week
- ☆18Aug 19, 2026Updated 2 weeks ago
- Thermodynamics of solids in the quasiharmonic approximation.☆39Apr 1, 2026Updated 5 months ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…☆12Sep 29, 2023Updated 2 years ago
- ☆17Jul 29, 2026Updated last month
- Molecular dynamics proxy application based on Cabana☆21Feb 20, 2025Updated last year
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Jul 9, 2026Updated last month
- Parameter estimation for complex physical problems often suffers from finding ‘solutions’ that are not physically realistic. The PEUQSE s…☆14May 28, 2025Updated last year
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆167Apr 22, 2026Updated 4 months ago
- Live Debian GNU/Linux System for MateriApps Applications☆57Oct 3, 2025Updated 11 months ago
- Fast tensor disentangling algorithm☆10Jun 4, 2021Updated 5 years ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- An inversion-of-control framework for developing modular scientific software.☆13Aug 6, 2026Updated 3 weeks ago
- ☆25Aug 18, 2026Updated 2 weeks ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- A Flexible Tool for EM-Radiation-emitting Semiconductor Heterostructure Optimization using Quantum models☆11Nov 3, 2020Updated 5 years ago
- Density matrix embedding theory for periodic systems☆20Dec 3, 2021Updated 4 years ago
- python library for post-processing of Electron Backscattered Diffraction (EBSD) data☆30Jun 4, 2025Updated last year
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆24Aug 20, 2026Updated 2 weeks ago
- ☆26May 27, 2025Updated last year
- Scripts to calculate elastic properties from a set of strained structures☆21Jul 3, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Computing anomalous Hall conductivity in OpenMX☆12Sep 23, 2025Updated 11 months ago
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Jul 24, 2024Updated 2 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Peridynamics with the Cabana library☆38Updated this week
- ☆22Jun 29, 2026Updated 2 months ago
- Utilities for ab initio modeling suite CRYSTAL, developed in Turin University☆11Aug 28, 2025Updated last year
- DCA++☆44Aug 18, 2026Updated 2 weeks ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆115Feb 22, 2022Updated 4 years ago
- ☆17May 12, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Global Address SPace toolbox -- Julia wrapper☆10Nov 17, 2017Updated 8 years ago
- The documentation site for TDEP.☆28Aug 17, 2023Updated 3 years ago
- The recursive hybrid tetrathedron method for Brillouin zone integrations in 2D/3D☆11Nov 20, 2021Updated 4 years ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆37Jun 7, 2026Updated 2 months ago
- ab-Initio Configuration Sampling tool kit (abICS)☆19Aug 17, 2026Updated 2 weeks ago
- Run shell commands becomes easy in Julia!☆12Jul 21, 2020Updated 6 years ago
- A Julia package for fitting the equation of state of solids, and more☆16Jun 18, 2026Updated 2 months ago