simongravelle / python-for-lammpsLinks
Python scripts for dealing with molecular dynamics script for LAMMPS
☆17Updated 2 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☆32Updated 4 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- ☆15Updated 6 months ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 6 years ago
- ☆38Updated 4 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Lammps tutorial: graphene simulations☆32Updated 4 years ago
- Generate random alloys and compute various properties☆53Updated 6 months ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆42Updated 2 weeks ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- ☆14Updated 8 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- ☆43Updated 5 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆21Updated last month
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆85Updated 3 years ago
- ☆40Updated last week
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 7 months ago
- [UNMAINTAINED] Lammps data file creation☆26Updated 7 years ago
- GROMACS input files☆19Updated 2 years ago
- A grain boundary generation code☆68Updated last year
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated last week
- Tutorials on CP2K calculations☆51Updated 3 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆53Updated last year
- Some scripting tools used for lammps input or output☆58Updated last month
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 5 months ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago