stefsmeets / topas_toolsLinks
Set of scripts for working with Topas
☆16Updated 6 months ago
Alternatives and similar repositories for topas_tools
Users that are interested in topas_tools are comparing it to the libraries listed below
Sorting:
- Crystal structure container and parsers for structure formats.☆35Updated 2 months ago
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆37Updated 9 months ago
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆12Updated 6 years ago
- Reads crystallographic cif files and simulates diffraction☆72Updated last month
- Debye's scattering equation & other analysis of atomistic models.☆55Updated last year
- Specification of a common REST API for access to materials databases☆98Updated 2 weeks ago
- A module for ASE for elastic constants calculation.☆46Updated 8 months ago
- Atomistic Manipulation Toolkit☆91Updated 2 months ago
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆20Updated 3 months ago
- xrayutilities - a package with useful scripts for X-ray diffraction physicists☆93Updated 2 months ago
- A Python interface to the electron microscopy simulation program QSTEM☆64Updated 4 years ago
- Interatomic potential creating using DFT training data.☆27Updated 5 years ago
- Generate random alloys and compute various properties☆60Updated 10 months ago
- A collection of crystal structures from first-principles simulations☆35Updated 5 years ago
- Thermodynamic Phase Diagram Generator☆55Updated 3 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆66Updated last year
- ☆107Updated 2 months ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Updated last year
- A physics computational framework for python and ipython☆38Updated 3 months ago
- Suite of programs to simulate disordered and nanomaterials☆60Updated last week
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Updated last week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 4 months ago
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- Grand canonical optimization of grain boundary phases.☆27Updated 5 months ago
- generator of simple atomistic models☆28Updated 7 years ago
- Python interface for VASP☆87Updated this week
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆74Updated last year
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆25Updated last month
- Fluid-phase Free-energy Calculation package for LAMMPS☆27Updated 3 years ago