velocirobbie / GraFFLinks
A Graphene and Graphite Forcefield for LAMMPS
☆12Updated 5 years ago
Alternatives and similar repositories for GraFF
Users that are interested in GraFF are comparing it to the libraries listed below
Sorting:
- Lammps tutorial: graphene simulations☆32Updated 4 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- ☆43Updated 4 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆31Updated 4 years ago
- ☆15Updated 5 months ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 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
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆37Updated 3 years ago
- GROMACS input files☆19Updated 2 years ago
- A tool for performing post-processing of lammps log files☆13Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆47Updated 6 years ago
- Automatically exported from code.google.com/p/elba-lammps☆21Updated 9 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
- ☆14Updated 6 years ago
- ☆37Updated 3 months ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated last week
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆40Updated last month
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆41Updated 3 years ago
- [UNMAINTAINED] Lammps data file creation☆26Updated 7 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆11Updated last month
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Updated 4 years ago
- New version of dft-book for Quantum Espresso☆45Updated 5 years ago
- ☆16Updated 3 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- Convert files from the ATB repository to LAMMPS format☆20Updated 7 months ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 4 years ago
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- ☆15Updated 2 years ago