lammps / pizza
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.
☆63Updated 3 years ago
Alternatives and similar repositories for pizza:
Users that are interested in pizza are comparing it to the libraries listed below
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆85Updated 11 months ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆40Updated 3 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆81Updated 3 years ago
- Atomistic Manipulation Toolkit☆87Updated last month
- LAMMPS tutorials for both beginners and advanced users☆110Updated this week
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆67Updated 3 months ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆42Updated 2 years ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆71Updated last month
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆58Updated 3 weeks ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- LAMMPS input from lammpstutorials.github.io☆40Updated last week
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- Python Cp2k interface☆94Updated 2 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated this week
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆37Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆61Updated last year
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆33Updated 2 weeks ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 3 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆31Updated 5 years ago
- A module for ASE for elastic constants calculation.☆41Updated 2 months ago
- Atomistic Manipulation Toolkit☆36Updated 2 weeks ago
- A Python library to calculate elastic properties of materials.☆58Updated 2 years ago
- Python tools to handle CP2K output files☆39Updated this week
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆72Updated 3 months ago
- Examples demonstrating how to reproduce the results in the paper.☆53Updated 5 months ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆163Updated this week
- Python library written in C++ for calculation of local atomic structural environment☆60Updated 7 months ago
- ☆108Updated 2 years ago