mz8879813 / LammpsPostprocessing
Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data
☆13Updated 5 years ago
Alternatives and similar repositories for LammpsPostprocessing:
Users that are interested in LammpsPostprocessing are comparing it to the libraries listed below
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 7 years ago
- ☆37Updated 2 months ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆38Updated last week
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆31Updated 5 years ago
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 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…☆54Updated 5 years ago
- ☆41Updated 6 years ago
- [UNMAINTAINED] Lammps data file creation☆26Updated 6 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- ☆25Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆56Updated 5 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- ☆47Updated last week
- Constant potential method in LAMMPS☆49Updated last year
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 7 months ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- GROMACS input files☆19Updated last year
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- ☆43Updated 4 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆52Updated last year
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆25Updated last month
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- ☆37Updated 6 months ago
- ☆27Updated 2 years ago
- CmuMD implementation for PLUMED2☆16Updated last year
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated last year
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆39Updated this week
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆30Updated 4 years ago
- Visualize vibrational modes from VASP calculations☆41Updated 3 months ago