killiansheriff / WarrenCowleyParameters
OVITO Python modifier to compute the Warren-Cowley parameters.
☆28Updated 3 weeks ago
Alternatives and similar repositories for WarrenCowleyParameters:
Users that are interested in WarrenCowleyParameters are comparing it to the libraries listed below
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆22Updated 2 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆37Updated 2 weeks ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆56Updated 3 weeks ago
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated 2 months ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆25Updated last month
- A... M... L...☆47Updated 3 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- ☆67Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆28Updated last year
- Some tutorial-style examples for validating machine-learned interatomic potentials☆33Updated last year
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated last year
- ☆82Updated 5 months ago
- Heat capacity predictor for porous materials☆12Updated 10 months ago
- Examples demonstrating how to reproduce the results in the paper.☆56Updated 5 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- ☆71Updated 2 weeks ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆55Updated 2 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆49Updated 3 weeks ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- ☆29Updated 3 months ago
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆19Updated last year
- Code for automated fitting of machine learned interatomic potentials.☆76Updated last week
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Band structure unfolding made easy!☆50Updated this week
- A command line tool written in Python/C++ for finding optimized SQS structures☆46Updated this week
- ☆9Updated last month
- A Python 3 script to visualise atomic displacement using the Vesta file format☆17Updated 5 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆21Updated last year
- ☆41Updated 6 years ago