lan496 / crystal-symmetry-primerLinks
Primer of crystal symmetry and space group
☆16Updated 2 years ago
Alternatives and similar repositories for crystal-symmetry-primer
Users that are interested in crystal-symmetry-primer are comparing it to the libraries listed below
Sorting:
- ☆17Updated 6 months ago
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆24Updated 9 months ago
- Generate symmetrized force constants☆25Updated this week
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- Tutorial to learn basic features of atomate2☆14Updated last year
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Phonons from ML force fields☆23Updated 2 months ago
- Python package to simulate differential absorption spectra of crystals from first principles☆31Updated last month
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆19Updated 10 months ago
- Tracking citations of atomistic simulation engines☆24Updated this week
- Library for Crystal Symmetry in Rust☆56Updated last week
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆13Updated this week
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated 10 months ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- ☆21Updated last year
- Random symmetric initialization of crystals☆22Updated 7 years ago
- Quick tools for materials chemistry☆19Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- ☆18Updated 4 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- A general parser for VASP☆14Updated this week
- Tutorial files to work with ML for the charge density in molecules and solids☆12Updated 2 years ago
- Phonons for AiiDA☆20Updated 2 weeks ago
- Geometric analysis of crystal structures☆15Updated 3 years ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated last week
- More efficient and faster version of pyscal☆22Updated 4 months ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆19Updated 2 years ago