AdvancedPhotonSource / GSAS-IILinks
Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
☆58Updated 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☆62Updated 2 weeks ago
- A grain boundary generation code☆67Updated last year
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆24Updated 2 weeks ago
- Grand canonical optimization of grain boundary phases.☆21Updated 3 weeks ago
- This package provides the interface module between aenet [1] and LAMMPS [2], patch of aenet for the LAMMPS library, and Artificial Neural…☆22Updated last year
- A plugin to AiiDA for running simulations with VASP☆55Updated this week
- ☆93Updated 5 months ago
- A module for ASE for elastic constants calculation.☆42Updated 4 months ago
- PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar…☆57Updated 5 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆54Updated 6 months ago
- Generating geometries for electronic structure calculations from CIF files.☆43Updated 7 months ago
- Derivative structure enumeration library☆73Updated 6 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆62Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆37Updated 2 weeks ago
- Python interface for VASP☆83Updated this week
- Automated crystal structure analysis based on blackbox optimisation☆30Updated 7 months ago
- The CP2K plugin for the AiiDA workflow and provenance engine.☆24Updated last month
- Interatomic potential creating using DFT training data.☆28Updated 5 years ago
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆36Updated 5 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 3 weeks ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- Defect analysis modules for pymatgen☆49Updated this week
- Free Objects for Crystallography : Fox / ObjCryst++☆23Updated 8 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆61Updated 6 months ago
- Blender extensions for illustrations of phonons☆65Updated 6 years ago
- Automatic generation of crystal structure descriptions.☆118Updated this week
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆69Updated 5 months ago
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆54Updated this week
- Object-oriented microkinetic modeling package using ASE☆21Updated 2 years ago