issp-center-dev / abICSLinks
ab-Initio Configuration Sampling tool kit (abICS)
☆17Updated last month
Alternatives and similar repositories for abICS
Users that are interested in abICS are comparing it to the libraries listed below
Sorting:
- ☆23Updated last year
- ☆19Updated 6 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Band structure unfolding made easy!☆53Updated this week
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 4 months ago
- ☆15Updated 2 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 9 months ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 4 months ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆49Updated 2 weeks ago
- ☆42Updated 7 years ago
- TDEP Tutorials☆32Updated last month
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 3 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- 2017-09-26 Linux source.☆14Updated 3 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- ☆17Updated 4 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Updated last year
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Basic programs for generating Slater-Koster files for the DFTB-method☆26Updated 5 months ago
- Site-Occupation Disorder☆41Updated 3 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆60Updated last month
- ☆26Updated 6 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆44Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Phonons from ML force fields☆21Updated last week
- URL links to phonondb data☆31Updated 11 months ago
- Tutorials showcasing various capabilities of Libra☆23Updated last week