mhoffman / kmosLinks
kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
☆57Updated 7 years ago
Alternatives and similar repositories for kmos
Users that are interested in kmos are comparing it to the libraries listed below
Sorting:
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- A kinetic Monte Carlo Python/C++ library.☆131Updated last year
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 4 months ago
- A module for ASE for elastic constants calculation.☆46Updated 7 months ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆88Updated 3 months ago
- A Python library to calculate elastic properties of materials.☆59Updated last month
- generator of simple atomistic models☆28Updated 7 years ago
- A physics computational framework for python and ipython☆38Updated 2 months ago
- potfit force-matching code☆41Updated last year
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- ASE density-functional tight-binding calculator☆67Updated 7 months ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- Atomistic Manipulation Toolkit☆90Updated last month
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 3 years ago
- Examples of using the Atomic Simulation Environment☆37Updated 9 years ago
- Python Cp2k interface☆98Updated 3 years ago
- ELATE: Elastic tensor analysis☆84Updated last year
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆102Updated last year
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Python interface for VASP☆85Updated last week
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated 2 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 2 weeks ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Updated 10 years ago
- A collection of crystal structures from first-principles simulations☆35Updated 5 years ago