palmergroupUH / Order_Parameters_LibraryLinks
A Python/Fortran order parameter analysis library
☆13Updated 5 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:
- ☆30Updated 3 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
- Code and examples to compute IR spectra from normal mode analysis☆15Updated 3 years ago
- ☆46Updated 5 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Updated last year
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆72Updated 3 months ago
- ☆14Updated 6 years ago
- ☆51Updated this week
- CmuMD implementation for PLUMED2☆22Updated 2 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Updated last year
- Training code used to optimize reaxff force field (via LAMMPS)☆20Updated 8 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆40Updated 4 months ago
- Personal functions for making Pyplot Python figures☆20Updated last year
- 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
- Constant potential method in LAMMPS☆52Updated 2 years ago
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- updated constant potential plugin for LAMMPS☆39Updated 3 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆28Updated 2 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆73Updated last year
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆32Updated 6 years ago
- ☆112Updated 3 years ago
- On-the-fly calculation of Transport Properties☆28Updated 2 years ago
- ☆39Updated 3 months ago
- Gromacs to Lammps simulation converter☆90Updated 2 years ago
- Tutorials on CP2K calculations☆62Updated 4 years ago
- ☆18Updated 3 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Updated 2 months ago
- Deep eutectic solvent force field parameters (OPLS-DES)☆13Updated 3 years ago