yiming-xu / LAMMPS_SimulationLinks
Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
☆33Updated 6 years ago
Alternatives and similar repositories for LAMMPS_Simulation
Users that are interested in LAMMPS_Simulation are comparing it to the libraries listed below
Sorting:
- Training code used to optimize reaxff force field (via LAMMPS)☆20Updated 8 years ago
- ☆39Updated 3 months ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆39Updated 4 years ago
- 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
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆36Updated 5 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Updated 4 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Generate random alloys and compute various properties☆66Updated 2 weeks ago
- [UNMAINTAINED] Lammps data file creation☆28Updated 7 years ago
- ☆46Updated 5 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆95Updated last week
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Updated 3 years ago
- ☆51Updated last week
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆75Updated 3 months ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 6 years ago
- Tutorials on CP2K calculations☆62Updated 4 years ago
- Constant potential method in LAMMPS☆52Updated 2 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Updated last year
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Updated 2 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Updated this week
- updated constant potential plugin for LAMMPS☆39Updated 3 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
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆41Updated last week
- Files used in tutorials☆46Updated 5 years ago
- A Python/Fortran order parameter analysis library☆13Updated 5 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆56Updated 6 years ago
- Convert PDB files to LAMMPS data and force field files.☆19Updated 8 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Updated last year