Scripts to calculate elastic properties from a set of strained structures
☆21Jul 3, 2024Updated 2 years ago
Alternatives and similar repositories for elastic-constants
Users that are interested in elastic-constants are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- CASTEPconv, a tool to automate convergence calculations with CASTEP☆14Aug 9, 2021Updated 4 years ago
- Simmate: a full-stack framework for chemistry research.☆37Updated this week
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Utility modules for dealing with generally-anisotropic elastic constants and other geophysics problems☆15Mar 25, 2026Updated 3 months ago
- A Julia package for fitting the equation of state of solids, and more☆16Jun 18, 2026Updated 2 weeks ago
- MATLAB Seismic Anisotropy Toolkit☆44Apr 19, 2024Updated 2 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆41Jun 10, 2026Updated 3 weeks ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆22May 17, 2024Updated 2 years ago
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 5 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆63Jun 19, 2026Updated 2 weeks ago
- A fully automated approach to determine the melting temperature of crystalline materials☆22Jul 23, 2024Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Quick Uncertainty and Entropy via STructural Similarity☆61Apr 1, 2026Updated 3 months ago
- Tutorials for Quantum Espresso☆30Aug 18, 2022Updated 3 years ago
- Projected Electronic Bands in Quantum Espresso☆17Oct 21, 2025Updated 8 months ago
- Creating elastic structures using LAMMPS☆12Jan 30, 2023Updated 3 years ago
- A Python library and command line interface for automated free energy calculations☆93Jun 25, 2026Updated last week
- Python tools for exploration seismology☆14Apr 25, 2016Updated 10 years ago
- ☆28Apr 21, 2026Updated 2 months ago
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆17Jun 15, 2026Updated 2 weeks ago
- APEX: Alloy Properties EXplorer using simulations☆45Jun 22, 2026Updated last week
- 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.
- The TurboGAP code☆21May 29, 2026Updated last month
- A flexible and performant framework for training machine learning potentials.☆37Updated this week
- NIST Interatomic Potential Repository property calculation tools☆13Updated this week
- An API btw Quantum ESPRESSO and Python☆21Jan 28, 2022Updated 4 years ago
- ☆16Oct 1, 2023Updated 2 years ago
- A collection of basic routines for Molecular Dynamics simulations implemented in Julia☆13Nov 4, 2025Updated 7 months ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calcula…☆29Feb 4, 2026Updated 5 months ago
- Semiemperical quasiharmonic thermal elasticity☆22Dec 10, 2025Updated 6 months 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.
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 2 years ago
- A tool for finding optimized SQS structures tool written in C++☆72Jun 22, 2026Updated last week
- Open-source library for analyzing the results produced by ABINIT☆142Jun 16, 2026Updated 2 weeks ago
- Derivative structure enumeration library☆86Nov 16, 2024Updated last year
- LAMMPS interface for phonon calculations using phonopy☆94Nov 5, 2025Updated 7 months ago
- A module for ASE for elastic constants calculation.☆49Jan 5, 2026Updated 5 months ago
- A general parser for VASP☆15Updated this week