SHDShim / PeakPoLinks
X-ray diffraction data analysis for high pressure and high temperature experiments
☆17Updated 4 months ago
Alternatives and similar repositories for PeakPo
Users that are interested in PeakPo are comparing it to the libraries listed below
Sorting:
- Reads crystallographic cif files and simulates diffraction☆66Updated last month
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆37Updated 6 months ago
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆54Updated last month
- Docs and examples for Quantum-Espresso☆16Updated 8 years ago
- Thermodynamic Phase Diagram Generator☆54Updated 3 years ago
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆20Updated 3 weeks ago
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆13Updated 6 years ago
- Debye's scattering equation & other analysis of atomistic models.☆53Updated last year
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 5 years ago
- xrayutilities - a package with useful scripts for X-ray diffraction physicists☆90Updated 5 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 9 months ago
- Core-Level Spectroscopy Simulations in Python☆42Updated 6 months ago
- PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar…☆58Updated 5 years ago
- Generate random alloys and compute various properties☆56Updated 7 months ago
- Simulation package for constructing model band structures and calculate momentum resolved EEELS (low loss region) on the basis of these☆15Updated 4 years ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆26Updated this week
- The CP2K plugin for the AiiDA workflow and provenance engine.☆24Updated last week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆44Updated last year
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated 2 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- A module for ASE for elastic constants calculation.☆45Updated 5 months ago
- A Python suite for manipulating VASP input and output☆46Updated last year
- A real-space DFT code☆16Updated 4 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 2 months ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆37Updated last month
- Python based GUI-Program for integration and exploration of 2D x-ray diffraction images.☆62Updated 3 weeks ago
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- generator of simple atomistic models☆28Updated 6 years ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago