andrewrgarcia / powerxrdLinks
A Python package build to analyze powder XRD (and XRD) data. The only known open-source Github project with a Rietveld refinement method in development.
☆65Updated 5 months ago
Alternatives and similar repositories for powerxrd
Users that are interested in powerxrd are comparing it to the libraries listed below
Sorting:
- Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials☆81Updated last week
- Materials science with Python at the atomic-scale☆228Updated last week
- Atomistic Manipulation Toolkit☆94Updated 4 months ago
- Reads crystallographic cif files and simulates diffraction☆73Updated 3 months ago
- PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar…☆67Updated 5 years ago
- VSCODE extension for language support of LAMMPS scripts☆53Updated 3 weeks ago
- A grain boundary generation code☆79Updated 2 years ago
- LAMMPS tutorials for both beginners and advanced users☆129Updated 2 months ago
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆54Updated 6 months ago
- ELATE: Elastic tensor analysis☆89Updated 3 months ago
- Python interface for VASP☆88Updated last week
- generator of simple atomistic models☆28Updated 7 years ago
- Solvation model for the plane wave DFT code VASP.☆171Updated 2 months ago
- New ASE compliant Python interface to VASP☆135Updated 3 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆113Updated last year
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆29Updated 3 weeks ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆87Updated last week
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆238Updated 2 months ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆78Updated 2 months ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆169Updated 2 weeks ago
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆64Updated 9 months ago
- Classical molecular simulation code☆145Updated last year
- Software for generating machine-learning interatomic potentials for LAMMPS☆179Updated 2 months ago
- Electronic transport properties from first-principles calculations☆157Updated 2 weeks ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆69Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆135Updated 2 months ago
- LAMMPS input from lammpstutorials.github.io☆57Updated 2 months ago
- Derivative structure enumeration library☆80Updated last year
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆132Updated last week