ELATE: Elastic tensor analysis
☆90Sep 24, 2025Updated 7 months ago
Alternatives and similar repositories for elate
Users that are interested in elate are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Oct 23, 2015Updated 10 years ago
- A module for ASE for elastic constants calculation.☆48Jan 5, 2026Updated 4 months ago
- POST code for second order elastic constant☆45Apr 14, 2020Updated 6 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆54Mar 20, 2024Updated 2 years ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 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.
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆55Sep 18, 2025Updated 7 months ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- generator of simple atomistic models☆28Sep 13, 2018Updated 7 years ago
- A Python library to calculate elastic properties of materials.☆60Jul 23, 2025Updated 9 months ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆22Apr 20, 2026Updated 2 weeks ago
- Phonon anharmonicity analysis from molecular dynamics☆140Apr 14, 2026Updated 3 weeks ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated 11 months ago
- 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.
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- Simmate: a full-stack framework for chemistry research.☆38Updated this week
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆43Mar 14, 2026Updated last month
- DFT simulation of He atom☆13Sep 21, 2021Updated 4 years ago
- A conda-smithy repository for lammps.☆10Apr 21, 2026Updated 2 weeks ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆24Apr 9, 2026Updated 3 weeks ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆76Mar 30, 2026Updated last month
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- 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.
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆52Updated this week
- Phonon code☆476Apr 30, 2026Updated last week
- General post-processing scripts used for my research☆18Apr 17, 2018Updated 8 years ago
- Visualise lattice vibrations☆108Apr 4, 2026Updated last month
- A lightweight python package for reading and writing VASP ML_AB files☆45Feb 24, 2025Updated last year
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- VELAS is a user-friendly open-source toolbox for the visualization and analysis of elastic anisotropy written in GNU Octave that can be u…☆19May 13, 2025Updated 11 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.
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆64Updated this week
- Thermodynamics of solids in the quasiharmonic approximation.☆39Apr 1, 2026Updated last month
- Scripts to calculate elastic properties from a set of strained structures☆20Jul 3, 2024Updated last year
- Simple Hartree-Fock codes in Python, C++, fortran☆15Mar 3, 2018Updated 8 years ago
- Python interface for VASP☆95Updated this week
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆39Apr 28, 2016Updated 10 years ago