abinit / abipyLinks
Open-source library for analyzing the results produced by ABINIT
☆135Updated 3 weeks ago
Alternatives and similar repositories for abipy
Users that are interested in abipy are comparing it to the libraries listed below
Sorting:
- A simulation package of phonon-phonon interaction related properties☆155Updated 2 weeks ago
- JDFTx: software for joint density functional theory☆100Updated 3 weeks ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆186Updated this week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆182Updated last week
- A Python library for electronic structure pre/post-processing☆201Updated last week
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆124Updated 2 years ago
- Electronic transport properties from first-principles calculations☆158Updated last week
- Atomistic Manipulation Toolkit☆94Updated 6 months ago
- 1D density functional theory code in Python☆140Updated 2 years ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆221Updated 3 weeks ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆77Updated 2 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆153Updated last week
- Python package to analyse electron density & electrostatic potential grids☆89Updated last month
- A minimalistic atomic Density Functional Theory (DFT) code☆145Updated 2 weeks ago
- Fermi surface generation, analysis and visualisation.☆98Updated last week
- The official AiiDA plugin for Quantum ESPRESSO☆74Updated 2 months ago
- New ASE compliant Python interface to VASP☆144Updated last week
- BandUP: Band Unfolding code for Plane-wave based calculations☆107Updated 4 years ago
- Materials science with Python at the atomic-scale☆229Updated last week
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated 2 months ago
- Python Cp2k interface☆100Updated 3 years ago
- A simple, robust and flexible just-in-time job management framework in Python.☆171Updated last week
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated last week
- ELATE: Elastic tensor analysis☆90Updated 4 months ago
- Phonon anharmonicity analysis from molecular dynamics☆136Updated 4 months ago
- A Virtual Machine for computational materials science☆94Updated 5 months ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆117Updated this week
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆105Updated last year
- Analysis of quantum chemical interactions in molecules and solids.☆114Updated this week