ttadano / ALMLinks
☆21Updated last year
Alternatives and similar repositories for ALM
Users that are interested in ALM are comparing it to the libraries listed below
Sorting:
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Suite of Python scripts for Perturbo testing and postprocessing☆12Updated 2 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated last week
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 6 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- A module for ASE for elastic constants calculation.☆45Updated 5 months ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆49Updated 2 weeks ago
- Random symmetric initialization of crystals☆22Updated 7 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆22Updated 2 years ago
- Site-Occupation Disorder☆41Updated 3 months ago
- quick analysis of vasp calculation☆36Updated last year
- Defect analysis modules for pymatgen☆49Updated last week
- Band structure unfolding made easy!☆53Updated 3 weeks ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- ☆23Updated last year
- ☆17Updated 4 years ago
- A user package of LAMMPS software enabling simulations using linearized machine learning potentials☆8Updated 4 months ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆24Updated 2 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 2 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated last month
- Generate random alloys and compute various properties☆56Updated 7 months ago
- A Python library to calculate elastic properties of materials.☆58Updated 3 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆22Updated 5 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆64Updated 7 months ago
- Some ongoing projects in Zhu's group☆28Updated last year
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 4 months ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago