velocirobbie / make-graphiticsLinks
☆43Updated 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:
- ☆29Updated 2 years ago
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 2 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆26Updated 4 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- ☆40Updated last week
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- ☆17Updated 4 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆39Updated this week
- Tool for finding atomic environments in crystal structures☆21Updated last month
- LAMMPS tutorials for both beginners and advanced users: the article☆23Updated last week
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- Personal functions for making Pyplot Python figures☆17Updated 8 months ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 3 months ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- A Python/Fortran order parameter analysis library☆12Updated 4 years ago
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 years ago
- Convert files from the ATB repository to LAMMPS format☆21Updated 8 months ago
- Tutorial: Crystallization of silicon using enhanced sampling simulations☆18Updated last year
- LAMMPS plugin for AiiDA☆25Updated last week
- Tutorials showcasing various capabilities of Libra☆23Updated 2 weeks ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆42Updated 8 months ago
- CmuMD implementation for PLUMED2☆17Updated last year
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 4 years ago
- ☆34Updated 5 months ago
- MBX is an energy and force calculator for data-driven many-body simulations.☆39Updated 9 months ago
- On-the-fly calculation of Transport Properties☆26Updated 2 years ago