ftherrien / p2ptransLinks
An algorithm to match crystal structures atom-to-atom
☆53Updated 2 years ago
Alternatives and similar repositories for p2ptrans
Users that are interested in p2ptrans are comparing it to the libraries listed below
Sorting:
- ☆73Updated 2 years ago
- Phonons from ML force fields☆23Updated 6 months ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆21Updated last year
- Random symmetric initialization of crystals☆25Updated 8 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Updated 4 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆56Updated 3 weeks ago
- Defect analysis modules for pymatgen☆61Updated last week
- Utility for applying the distortion symmetry method.☆28Updated last year
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…