JeroenMulkers / lammps_graphene
Lammps tutorial: graphene simulations
☆32Updated 4 years ago
Alternatives and similar repositories for lammps_graphene:
Users that are interested in lammps_graphene are comparing it to the libraries listed below
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆30Updated 4 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆31Updated 5 years 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
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆37Updated 3 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 5 years ago
- ☆37Updated 2 months ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆38Updated last week
- ☆14Updated 4 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- How-to perform LAMMPS simulations☆14Updated last year
- Constant potential method in LAMMPS☆49Updated last year
- Some scripting tools used for lammps input or output☆58Updated 2 years ago
- A Graphene and Graphite Forcefield for LAMMPS☆12Updated 5 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 4 years ago
- ☆14Updated 8 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆17Updated 9 years ago
- Examples demonstrating how to reproduce the results in the paper.☆53Updated 5 months ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 7 years ago
- GROMACS input files☆19Updated last year
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆10Updated 2 months ago
- ☆42Updated 4 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆13Updated 2 years ago
- A grain boundary generation code☆65Updated last year
- [UNMAINTAINED] Lammps data file creation☆26Updated 6 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago