spglib / spglibLinks
C library for finding and handling crystal symmetries
☆353Updated last month
Alternatives and similar repositories for spglib
Users that are interested in spglib are comparing it to the libraries listed below
Sorting:
- Phonon code☆456Updated this week
- A Python library for electronic structure pre/post-processing☆201Updated last week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- DFTB+ general package for performing fast atomistic simulations☆412Updated last week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆380Updated last week
- Official repository of the Wannier90 code☆303Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆153Updated last week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆206Updated last month
- Ab initio simulator for thermal transport and lattice anharmonicity☆186Updated this week
- A simulation package of phonon-phonon interaction related properties☆155Updated 2 weeks ago
- i-PI: a universal force engine☆285Updated this week
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆221Updated 3 weeks ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆253Updated this week
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆239Updated last week
- A code to generate atomic structure with symmetry☆356Updated last week
- Electronic transport properties from first-principles calculations☆158Updated last week
- New ASE compliant Python interface to VASP☆144Updated last week
- Heavyweight plotting tools for ab initio calculations☆241Updated 9 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆265Updated 9 months ago
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆319Updated 8 months ago
- Open-source library for analyzing the results produced by ABINIT☆135Updated 3 weeks ago
- n2p2 - A Neural Network Potential Package☆241Updated 10 months ago
- Solvation model for the plane wave DFT code VASP.☆171Updated 4 months ago
- Phonon anharmonicity analysis from molecular dynamics☆136Updated 4 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆182Updated last week
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆179Updated last month
- Software for generating machine-learning interatomic potentials for LAMMPS☆182Updated 3 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆274Updated last week
- A simple, robust and flexible just-in-time job management framework in Python.☆171Updated last week
- A repository for quantum chemistry basis sets☆187Updated 2 months ago