simongravelle / python-for-lammpsLinks
Python scripts for dealing with molecular dynamics script for LAMMPS
☆18Updated 3 years ago
Alternatives and similar repositories for python-for-lammps
Users that are interested in python-for-lammps are comparing it to the libraries listed below
Sorting:
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆36Updated 5 years ago
- ☆16Updated last year
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- ☆14Updated 9 years ago
- ☆39Updated 3 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Updated 4 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆32Updated 6 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- Some scripting tools used for lammps input or output☆62Updated 8 months ago
- A grain boundary generation code☆80Updated 2 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Updated 4 years ago
- Constant potential method in LAMMPS☆52Updated 2 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆39Updated 4 years ago
- ☆112Updated 3 years ago
- Lammps tutorial: graphene simulations☆34Updated 5 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Updated last year
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 6 years ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆95Updated last week
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆50Updated 8 months ago
- Generate random alloys and compute various properties☆66Updated last week
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆92Updated this week
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆24Updated 7 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆70Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆44Updated 5 months ago
- ☆46Updated 5 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated 2 years ago
- LAMMPS tutorials for both beginners and advanced users☆134Updated 4 months ago
- potfit force-matching code☆42Updated last year