mhoffman / kmosLinks
kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
☆59Updated last week
Alternatives and similar repositories for kmos
Users that are interested in kmos are comparing it to the libraries listed below
Sorting:
- A kinetic Monte Carlo Python/C++ library.☆134Updated last year
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated 2 months ago
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- A module for ASE for elastic constants calculation.☆47Updated last month
- A toolbox for quickly build inputs and analyze results of DFT codes☆45Updated 2 years ago
- A physics computational framework for python and ipython☆39Updated 6 months ago
- ASE density-functional tight-binding calculator☆68Updated last year
- ELATE: Elastic tensor analysis☆90Updated 4 months ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆79Updated 3 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆56Updated 2 weeks ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- generator of simple atomistic models☆28Updated 7 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆44Updated 5 months ago
- Python interface for VASP☆89Updated this week
- potfit force-matching code☆42Updated last year
- A Python library to calculate elastic properties of materials.☆59Updated 6 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆105Updated last year
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆92Updated this week
- Fermi surface generation, analysis and visualisation.☆98Updated last week
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Updated 4 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆95Updated this week
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆77Updated 2 years ago
- Python package to analyse electron density & electrostatic potential grids☆89Updated 3 weeks ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆17Updated last week
- Simulation Package for Ab-initio Real-space Calculations☆94Updated 2 months ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆58Updated 2 years ago