sphuber / aiida-shell
AiiDA plugin that makes running shell commands easy.
☆14Updated 2 months ago
Alternatives and similar repositories for aiida-shell:
Users that are interested in aiida-shell are comparing it to the libraries listed below
- The CP2K plugin for the AiiDA workflow and provenance engine.☆23Updated last month
- interacting Dynamic Electrons Approach☆27Updated 8 months ago
- A set of useful tools for Quantum ESPRESSO☆33Updated 4 months ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆53Updated 4 months ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆17Updated last month
- Band structure unfolding made easy!☆48Updated 2 weeks ago
- Phonon for AiiDA☆19Updated 3 weeks ago
- AiiDAlab App for Quantum ESPRESSO☆14Updated last week
- An AiiDA plugin for dynamically defining workflows using Python functions☆17Updated 2 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆45Updated this week
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago
- BerkeleyGW python☆31Updated 3 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆46Updated 5 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆77Updated this week
- A widget to visualize and edit atomic structures in Jupyter Notebook☆29Updated last month
- Suite of Python scripts for Perturbo testing and postprocessing☆10Updated 2 weeks ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆32Updated last week
- quick analysis of vasp calculation☆35Updated 9 months ago
- A plugin to AiiDA for running simulations with VASP☆51Updated this week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated last month
- A library of ultrasoft and PAW pseudopotentials☆76Updated 2 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆15Updated this week
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆19Updated 4 months ago
- Geometric analysis of crystal structures☆15Updated 2 years ago
- Band unfolding for phonons☆54Updated 5 months ago
- ☆29Updated 8 months ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆37Updated 7 months ago