coudertlab / elateLinks
ELATE: Elastic tensor analysis
☆81Updated last year
Alternatives and similar repositories for elate
Users that are interested in elate are comparing it to the libraries listed below
Sorting:
- A grain boundary generation code☆69Updated last year
- A module for ASE for elastic constants calculation.☆45Updated 5 months ago
- A Python library to calculate elastic properties of materials.☆58Updated 3 years ago
- generator of simple atomistic models☆28Updated 6 years ago
- Atomistic Manipulation Toolkit☆90Updated last week
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆70Updated last year
- Python interface for VASP☆85Updated 3 weeks ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆73Updated 6 months ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆42Updated last year
- A toolkit for automatic calculation and analysis of elastic constants☆51Updated last year
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆69Updated last month
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆101Updated 11 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated last week
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 9 months ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆86Updated last month
- Generate random alloys and compute various properties☆56Updated 7 months ago
- Fermi surface generation, analysis and visualisation.☆95Updated 2 weeks ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆113Updated last year
- Materials science with Python at the atomic-scale☆212Updated last week
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆129Updated 8 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆47Updated 6 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 10 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 6 months ago
- A plugin to AiiDA for running simulations with VASP☆55Updated last week
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago