LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
☆28Mar 25, 2026Updated last month
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☆75Apr 23, 2026Updated last week
- Install script collection for open-source software☆14Apr 18, 2026Updated 2 weeks ago
- A Python library for crystallographic symmetry operations and Symmetry-Adapted Multipole Basis (SAMB).☆14Apr 18, 2026Updated 2 weeks ago
- ☆18Dec 5, 2025Updated 5 months ago
- 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
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Thermodynamics of solids in the quasiharmonic approximation.☆39Apr 1, 2026Updated last month
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆23Apr 20, 2026Updated 2 weeks ago
- Molecular dynamics proxy application based on Cabana☆21Feb 20, 2025Updated last year
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Apr 8, 2026Updated 3 weeks ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆159Apr 22, 2026Updated last week
- Fast tensor disentangling algorithm☆10Jun 4, 2021Updated 4 years ago
- Live Debian GNU/Linux System for MateriApps Applications☆57Oct 3, 2025Updated 7 months ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- An inversion-of-control framework for developing modular scientific software.☆13Feb 2, 2026Updated 3 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆25Jan 5, 2026Updated 3 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Jul 24, 2024Updated last year
- python library for post-processing of Electron Backscattered Diffraction (EBSD) data☆30Jun 4, 2025Updated 11 months ago
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- ☆26May 27, 2025Updated 11 months ago
- Parameter estimation for complex physical problems often suffers from finding ‘solutions’ that are not physically realistic. The PEUQSE s…☆14May 28, 2025Updated 11 months ago
- Computing anomalous Hall conductivity in OpenMX☆12Sep 23, 2025Updated 7 months ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Various mechanics modules for the MOOSE framework☆14Jul 15, 2025Updated 9 months ago
- Peridynamics with the Cabana library☆34Apr 16, 2026Updated 2 weeks ago
- Scripts to calculate elastic properties from a set of strained structures☆20Jul 3, 2024Updated last year
- ☆21Dec 19, 2024Updated last year
- Utilities for ab initio modeling suite CRYSTAL, developed in Turin University☆11Aug 28, 2025Updated 8 months ago
- DCA++☆41Apr 16, 2026Updated 2 weeks ago
- A Flexible Tool for EM-Radiation-emitting Semiconductor Heterostructure Optimization using Quantum models☆11Nov 3, 2020Updated 5 years ago
- ☆17May 12, 2025Updated 11 months ago
- How to call NVTX from Fortran☆12Jun 25, 2025Updated 10 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆111Feb 22, 2022Updated 4 years ago
- Global Address SPace toolbox -- Julia wrapper☆10Nov 17, 2017Updated 8 years ago
- Celeritas is a new Monte Carlo transport code designed to accelerate scientific discovery in high energy physics by improving detector si…☆98Updated this week
- Generator of polynomial machine learning potentials☆20Updated this week
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆35Jan 24, 2026Updated 3 months ago
- Run shell commands becomes easy in Julia!☆12Jul 21, 2020Updated 5 years ago
- ab-Initio Configuration Sampling tool kit (abICS)☆20Dec 13, 2025Updated 4 months ago