velocirobbie / make-graphiticsLinks
☆45Updated 5 years ago
Alternatives and similar repositories for make-graphitics
Users that are interested in make-graphitics are comparing it to the libraries listed below
Sorting:
- ☆30Updated 2 years ago
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 3 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆52Updated 7 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆28Updated 4 years ago
- ☆42Updated 2 weeks ago
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆23Updated 5 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆65Updated 11 months ago
- MBX is an energy and force calculator for data-driven many-body simulations.☆41Updated 3 weeks ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Convert files from the ATB repository to LAMMPS format☆22Updated 3 weeks ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 4 months ago
- ☆17Updated 4 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆70Updated last week
- LAMMPS tutorials for both beginners and advanced users: the article☆25Updated 2 weeks ago
- LAMMPS plugin for AiiDA☆25Updated last week
- Personal functions for making Pyplot Python figures☆18Updated 10 months ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated last week
- A GUI program for plotting Minimal energy path on potential energy surface.☆38Updated 4 years ago
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 years ago
- On-the-fly calculation of Transport Properties☆26Updated 2 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated last year
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆14Updated 7 months ago
- Force field for ionic liquids☆65Updated 2 months ago
- A Python/Fortran order parameter analysis library☆12Updated 4 years ago
- Constant potential method in LAMMPS☆51Updated last year
- ☆67Updated 2 years ago
- Gromacs to Lammps simulation converter☆82Updated last year
- Tutorials on CP2K calculations☆54Updated 3 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆37Updated 2 years ago
- Tool for finding atomic environments in crystal structures☆21Updated 2 months ago