palmergroupUH / Order_Parameters_Library
A Python/Fortran order parameter analysis library
☆11Updated 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
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated last year
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆56Updated 5 months ago
- A... M... L...☆47Updated 3 years ago
- CmuMD implementation for PLUMED2☆16Updated last year
- 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
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 7 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆61Updated 8 months ago
- Heat capacity predictor for porous materials☆12Updated 10 months ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆28Updated 3 weeks ago
- ☆41Updated 6 years ago
- Constant potential method in LAMMPS☆49Updated last year
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆32Updated 3 months ago
- ☆37Updated 2 months ago
- ☆53Updated 4 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆27Updated 11 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- Tutorials on CP2K calculations☆49Updated 3 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
- ☆47Updated last week
- ☆108Updated 2 years ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 5 years ago
- ☆25Updated 2 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆49Updated 3 weeks ago
- ☆27Updated 2 years ago