AdvancedPhotonSource / GSAS-IILinks
Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
☆72Updated this week
Alternatives and similar repositories for GSAS-II
Users that are interested in GSAS-II are comparing it to the libraries listed below
Sorting:
- Reads crystallographic cif files and simulates diffraction☆72Updated last month
- Materials science with Python at the atomic-scale☆222Updated this week
- Python interface for VASP☆87Updated last week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆66Updated last year
- xrayutilities - a package with useful scripts for X-ray diffraction physicists☆93Updated 2 months ago
- Atomistic Manipulation Toolkit☆92Updated 2 months ago
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆29Updated 2 weeks ago
- VSCODE extension for language support of LAMMPS scripts☆51Updated last month
- A grain boundary generation code☆76Updated 2 years ago
- Derivative structure enumeration library☆78Updated 11 months ago
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆37Updated 10 months ago
- ELATE: Elastic tensor analysis☆86Updated last month
- ☆108Updated 2 months ago
- Grand canonical optimization of grain boundary phases.☆27Updated 5 months ago
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆183Updated 2 weeks ago
- A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).☆31Updated last year
- Automatic generation of crystal structure descriptions.☆125Updated this week
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- Classical molecular simulation code☆144Updated last year
- CrySPY is a crystal structure prediction tool written in Python.☆140Updated 3 weeks ago
- Python tools to handle CP2K output files☆42Updated last week
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆54Updated 4 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 5 months ago
- A module for ASE for elastic constants calculation.☆47Updated 8 months ago
- PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar…☆64Updated 5 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last month
- Specification of a common REST API for access to materials databases☆98Updated 3 weeks ago
- 1D density functional theory code in Python☆137Updated 2 years ago
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆64Updated 7 months ago