CMMRLab / LUNARLinks
☆51Updated this week
Alternatives and similar repositories for LUNAR
Users that are interested in LUNAR are comparing it to the libraries listed below
Sorting:
- ☆46Updated 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
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆73Updated last year
- ☆30Updated 3 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆75Updated 3 months ago
- ☆18Updated 3 years ago
- On-the-fly calculation of Transport Properties☆28Updated 2 years ago
- ☆39Updated 3 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆41Updated last week
- Constant potential method in LAMMPS☆52Updated 2 years ago
- Code and examples to compute IR spectra from normal mode analysis☆15Updated 3 years ago
- Gromacs to Lammps simulation converter☆90Updated 2 years ago
- Force field for ionic liquids☆72Updated last month
- A... M... L...☆52Updated 3 years ago
- ☆73Updated 2 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆37Updated 2 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Updated 2 weeks 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
- A Set of Tutorials for the LAMMPS Simulation Package☆40Updated 4 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆77Updated 2 weeks ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆95Updated this week
- Convert files from the ATB repository to LAMMPS format☆22Updated 5 months ago
- ☆69Updated 4 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆46Updated 2 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆20Updated 8 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 4 years ago
- updated constant potential plugin for LAMMPS☆39Updated 3 years ago
- A GUI program for plotting Minimal energy path on potential energy surface.☆41Updated 5 years ago