A module for ASE for elastic constants calculation.
☆48Jan 5, 2026Updated 3 months ago
Alternatives and similar repositories for Elastic
Users that are interested in Elastic are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Python library to calculate elastic properties of materials.☆60Jul 23, 2025Updated 9 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆108Aug 4, 2024Updated last year
- generator of simple atomistic models☆28Sep 13, 2018Updated 7 years ago
- ELATE: Elastic tensor analysis☆90Sep 24, 2025Updated 7 months ago
- A toolkit for automatic calculation and analysis of elastic constants☆54Mar 20, 2024Updated 2 years 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.
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆19Mar 4, 2026Updated 2 months ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆76Mar 30, 2026Updated last month
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Materials Interface: methods in computational materials science☆26Mar 28, 2017Updated 9 years ago
- ☆28Apr 21, 2026Updated 2 weeks ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Sep 4, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 4 months ago
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Apr 10, 2026Updated 3 weeks ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Visualization and editing of periodic molecular structure files.☆28Jan 20, 2026Updated 3 months ago
- elastic_vasp is a VASP-based Python tool that generates strained structures and extracts elastic constants from strain-energy calculati…☆15Apr 14, 2026Updated 2 weeks ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆251Updated this week
- potfit force-matching code☆42Feb 21, 2024Updated 2 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.
- Scripts to calculate elastic properties from a set of strained structures☆20Jul 3, 2024Updated last year
- Defect analysis modules for pymatgen☆63Apr 27, 2026Updated last week
- Phonon anharmonicity analysis from molecular dynamics☆140Apr 14, 2026Updated 2 weeks ago
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 2 years ago
- ☆21Dec 19, 2024Updated last year
- A software to calculate thermal conductivity quickly and accurately☆38Feb 20, 2020Updated 6 years ago
- Atomistic Manipulation Toolkit☆95Aug 4, 2025Updated 9 months ago
- ☆109Feb 23, 2026Updated 2 months ago
- Examples of using the Atomic Simulation Environment☆39Feb 15, 2016Updated 10 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A tool for finding optimized SQS structures tool written in C++☆70Apr 22, 2026Updated last week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆390Apr 27, 2026Updated last week
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- Crsytal simulation tools☆10Updated this week
- The Temperature Dependent Effective Potentials (TDEP) code☆114Mar 31, 2026Updated last month
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Oct 23, 2015Updated 10 years ago
- Generate atomic structures for common defects in materials☆19Apr 22, 2024Updated 2 years ago