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:
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆86Updated last month
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆69Updated last month
- A physics computational framework for python and ipython☆38Updated last week
- A module for ASE for elastic constants calculation.☆45Updated 5 months ago
- potfit force-matching code☆38Updated last year
- ELATE: Elastic tensor analysis☆83Updated last year
- Course materials for NANO 106 - Crystallography of Materials☆35Updated 3 years ago
- Atomistic Manipulation Toolkit☆36Updated last week
- ASE density-functional tight-binding calculator☆67Updated 5 months ago
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated 2 months ago
- Python interface for VASP☆85Updated 3 weeks ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆53Updated this week
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 3 years ago
- Python Cp2k interface☆95Updated 3 years ago
- A kinetic Monte Carlo Python/C++ library.☆131Updated last year
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated last week
- generator of simple atomistic models☆28Updated 6 years ago
- Atomistic Manipulation Toolkit☆90Updated last week
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 6 months ago
- A Python library to calculate elastic properties of materials.☆59Updated 3 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆137Updated 3 months ago
- Fermi surface generation, analysis and visualisation.☆95Updated 2 weeks ago
- JDFTx: software for joint density functional theory☆91Updated last month
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆101Updated 11 months ago
- Open-source library for analyzing the results produced by ABINIT☆121Updated this week
- OpenIEC: An open-source code for interfacial energy calculation in alloys☆36Updated last year
- A simulation package of phonon-phonon interaction related properties☆140Updated this week