Creating elastic structures using LAMMPS
☆12Jan 30, 2023Updated 3 years ago
Alternatives and similar repositories for LAMMPSStructures
Users that are interested in LAMMPSStructures are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…☆16Apr 13, 2026Updated 5 months ago
- Curatable database for experimental and theoretical data on solid materials.☆13Sep 9, 2026Updated last week
- ☆10May 2, 2025Updated last year
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated last year
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Electron-phonon averaged approximation☆11Jun 30, 2025Updated last year
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated 2 years ago
- Calculating electron-phonon couplings with DFTB.☆11Jul 1, 2026Updated 2 months ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated this week
- A collection of basic routines for Molecular Dynamics simulations implemented in Julia☆13Nov 4, 2025Updated 10 months ago
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆17Feb 11, 2021Updated 5 years ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆11Jul 25, 2025Updated last year
- polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories☆13Mar 4, 2021Updated 5 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 6 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆15Aug 11, 2022Updated 4 years ago
- Projected Electronic Bands in Quantum Espresso☆18Oct 21, 2025Updated 11 months ago
- Scripts to calculate elastic properties from a set of strained structures☆21Jul 3, 2024Updated 2 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆20Dec 31, 2025Updated 8 months ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆22Aug 2, 2023Updated 3 years ago
- band unfolding using quantum espresso☆12Jul 7, 2023Updated 3 years ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 8 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆19Dec 18, 2022Updated 3 years 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.
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Aug 14, 2019Updated 7 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆16Sep 5, 2023Updated 3 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Apr 30, 2025Updated last year
- Tutorial for Wannier2022☆18Apr 6, 2026Updated 5 months ago
- A real-space DFT code☆15Dec 4, 2020Updated 5 years ago
- A fully automated approach to determine the melting temperature of crystalline materials☆22Updated this week
- Materials Science Scripts☆13Aug 28, 2025Updated last year
- CoRdE model implementation: simulating ropes, chains, and other elastic strings☆11May 8, 2020Updated 6 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆22Aug 4, 2026Updated last month
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Efficient Tool for THermodynamics Exploration via Relaxations (ETHER) has been developed to study the thermodynamics of magnetic spins (…☆19Updated this week
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated last year
- Generate atomic structures for common defects in materials☆19Apr 22, 2024Updated 2 years ago
- Generate PEG topology for GROMACS and LAMMPS☆26Aug 19, 2024Updated 2 years ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Apr 12, 2022Updated 4 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- A simulation engine for compartmental models☆17Sep 4, 2026Updated 2 weeks ago