lammps / pizzaLinks
Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for the LAMMPS molecular dynamics package.
☆67Updated 4 years ago
Alternatives and similar repositories for pizza
Users that are interested in pizza are comparing it to the libraries listed below
Sorting:
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆88Updated 2 months ago
- LAMMPS tutorials for both beginners and advanced users☆119Updated this week
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- Materials science with Python at the atomic-scale☆216Updated last month
- Atomistic Manipulation Toolkit☆90Updated 3 weeks ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆75Updated 7 months ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 3 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆82Updated 2 months ago
- Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt☆104Updated 2 years ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆74Updated last week
- ELATE: Elastic tensor analysis☆84Updated last year
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆63Updated 5 months ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆173Updated 3 weeks ago
- Open-source library for analyzing the results produced by ABINIT☆125Updated last week
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆107Updated 10 months ago
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆113Updated last year
- A kinetic Monte Carlo Python/C++ library.☆132Updated last year
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆229Updated last month
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated this week
- Lammps tutorial: graphene simulations☆31Updated 5 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- A Python library to calculate elastic properties of materials.☆59Updated last month
- LAMMPS input from lammpstutorials.github.io☆49Updated 2 weeks ago
- A simulation package of phonon-phonon interaction related properties☆143Updated this week
- A framework for processing adsorption data and isotherm fitting☆74Updated 5 months ago
- A tool for performing post-processing of lammps log files☆13Updated 4 years ago
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆49Updated last year
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 3 months ago
- A grain boundary generation code☆73Updated last year
- Fermi surface generation, analysis and visualisation.☆95Updated 3 weeks ago