AdvancedPhotonSource / GSAS-II
Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
☆46Updated this week
Alternatives and similar repositories for GSAS-II:
Users that are interested in GSAS-II are comparing it to the libraries listed below
- Reads crystallographic cif files and simulates diffraction☆58Updated 3 weeks ago
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆20Updated 3 weeks ago
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆50Updated last year
- Derivative structure enumeration library☆66Updated 3 months ago
- A grain boundary generation code☆62Updated last year
- Generate random alloys and compute various properties☆51Updated 3 months ago
- Automated crystal structure analysis based on blackbox optimisation☆27Updated 4 months ago
- ☆88Updated 2 months ago
- A module for ASE for elastic constants calculation.☆41Updated last month
- Debye's scattering equation & other analysis of atomistic models.☆51Updated last year
- Free Objects for Crystallography : Fox / ObjCryst++☆23Updated 5 months ago
- A Python package build to analyze powder XRD (and XRD) data. The only known open-source Github project with a Rietveld refinement method…☆45Updated last year
- ☆21Updated 4 years ago
- Defect analysis modules for pymatgen☆47Updated last week
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 5 years ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆51Updated last week
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆12Updated 5 years ago
- ☆66Updated last year
- ☆43Updated 11 months ago
- ELATE: Elastic tensor analysis☆75Updated 10 months ago
- Python interface for VASP☆81Updated this week
- PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar…☆55Updated 4 years ago
- Examples demonstrating how to reproduce the results in the paper.☆53Updated 3 months ago
- Python Cp2k interface☆92Updated 2 years ago
- generator of simple atomistic models☆26Updated 6 years ago
- Automatic generation of crystal structure descriptions.☆110Updated 2 months ago
- Abinit tutorials based on AbiPy☆16Updated 2 years ago
- CrySPY is a crystal structure prediction tool written in Python.☆123Updated 9 months ago
- The Element Movers Distance for chemical composition similarity☆33Updated 4 months ago