A Python library to calculate elastic properties of materials.
☆62Jul 23, 2025Updated last year
Alternatives and similar repositories for MechElastic
Users that are interested in MechElastic 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 module for ASE for elastic constants calculation.☆49Jan 5, 2026Updated 9 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆86Sep 24, 2026Updated 2 weeks ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Sep 16, 2026Updated 3 weeks ago
- Python Package for Band Unfolding of Plane-wave Based First-Principles Calculations☆29Jul 27, 2026Updated 2 months ago
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆58Jul 21, 2026Updated 2 months 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.
- 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
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 9 months ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆22Aug 2, 2023Updated 3 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 7 years ago
- Automatic search for the most stable magnetic state of a given structure☆26Feb 17, 2026Updated 7 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Oct 23, 2015Updated 10 years ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Calculating electron-phonon couplings with DFTB.☆12Jul 1, 2026Updated 3 months ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 5 months ago
- Electronic transport properties from first-principles calculations☆163Updated this week
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Ab initio simulator for thermal transport and lattice anharmonicity☆207Updated this week
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73Sep 12, 2026Updated last month
- 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.
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆89Oct 4, 2026Updated last week
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Oct 1, 2026Updated last week
- A Python library for electronic structure pre/post-processing☆224Updated this week
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated 2 years ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Mar 7, 2021Updated 5 years ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Nov 15, 2015Updated 10 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 8 months ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆15Aug 31, 2022Updated 4 years ago
- 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.
- PLATO: Phonon LAttice TOols a place for all lattice dynamics and thermal transport related tools.☆16Oct 4, 2023Updated 3 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 3 years ago
- A code to compute the radial distribution function☆21Feb 22, 2019Updated 7 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆54Aug 12, 2026Updated 2 months ago
- Projected Electronic Bands in Quantum Espresso☆18Oct 21, 2025Updated 11 months ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- POST code for second order elastic constant☆46Apr 14, 2020Updated 6 years ago