stefsmeets / topas_toolsLinks
Set of scripts for working with Topas
☆16Updated 9 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
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆12Updated 6 years ago
- Reads crystallographic cif files and simulates diffraction☆73Updated 4 months ago
- A module for ASE for elastic constants calculation.☆47Updated last month
- Atomistic Manipulation Toolkit☆94Updated 6 months ago
- Specification of a common REST API for access to materials databases☆101Updated this week
- A Python interface to the electron microscopy simulation program QSTEM☆64Updated 5 years ago
- Python tools to handle CP2K output files☆46Updated this week
- Python Cp2k interface☆100Updated 3 years ago
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆42Updated last year
- xrayutilities - a package with useful scripts for X-ray diffraction physicists☆94Updated 2 months ago
- GUI4dft - first free SIESTA oriented GUI☆28Updated 2 weeks ago
- Debye's scattering equation & other analysis of atomistic models.☆59Updated last month
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆70Updated last year
- Python interface for VASP☆90Updated this week
- A plugin to AiiDA for running simulations with VASP☆60Updated 2 weeks ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆77Updated 2 years ago
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Updated last year
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Updated 2 years ago
- Python package to analyse electron density & electrostatic potential grids☆89Updated last month
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Interatomic potential creating using DFT training data.☆27Updated 6 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆54Updated 7 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- General purpose tools for high-throughput catalysis☆102Updated 8 months ago
- A Python suite for manipulating VASP input and output☆49Updated 3 months ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆28Updated 2 years ago
- potfit force-matching code☆42Updated last year
- A grain boundary generation code☆81Updated 2 years ago