palmergroupUH / Order_Parameters_LibraryLinks
A Python/Fortran order parameter analysis library
☆12Updated 4 years ago
Alternatives and similar repositories for Order_Parameters_Library
Users that are interested in Order_Parameters_Library are comparing it to the libraries listed below
Sorting:
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- ☆43Updated 5 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 7 months ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- ☆30Updated 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
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 2 years ago
- Tutorials related to GPUMD☆31Updated 2 months ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- ☆14Updated 6 years ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆29Updated 2 months ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- ☆40Updated 2 weeks ago
- CmuMD implementation for PLUMED2☆17Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- Tutorials on CP2K calculations☆52Updated 3 years ago
- GROMACS input files☆19Updated 2 years ago
- ☆38Updated 4 months ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆53Updated last year
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 6 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆14Updated 6 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Personal functions for making Pyplot Python figures☆17Updated 8 months ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆29Updated this week
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆22Updated this week
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆37Updated 2 years ago