JuDFTteam / aiida-fleurLinks
AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
☆14Updated 2 weeks ago
Alternatives and similar repositories for aiida-fleur
Users that are interested in aiida-fleur are comparing it to the libraries listed below
Sorting:
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated 2 months ago
- Phonons for AiiDA☆20Updated 2 months ago
- A physics computational framework for python and ipython☆38Updated 4 months ago
- AiiDA tutorials web site☆24Updated last month
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆21Updated 10 months ago
- A real-space DFT code☆16Updated 4 years ago
- Fermi surface generation, analysis and visualisation.☆98Updated 2 weeks ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated this week
- AiiDAlab App for Quantum ESPRESSO☆24Updated 2 weeks ago
- Post-processing toolkit for electronic structure calculations☆18Updated 2 weeks ago
- NIST Interatomic Potential Repository property calculation tools☆24Updated 3 months ago
- A module for ASE for elastic constants calculation.☆47Updated 9 months ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 4 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆39Updated 8 months ago
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated last month
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- ☆20Updated 2 years ago
- New version of dft-book for Quantum Espresso☆46Updated 5 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Updated 2 weeks ago
- GUI4dft - first free SIESTA oriented GUI☆26Updated 3 weeks ago
- Interface to DFT codes. Supported by the Flatiron Institute.☆42Updated last week
- Command-line utilities and Python libraries designed to make life with VASP easier☆56Updated 6 years ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Updated 3 years ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Updated last month
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated 2 weeks ago
- Python tools for Quantum ESPRESSO☆36Updated last month
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago