This package provides tools for computing spatial statistics for both atomistic and continuum materials datasets.
Project is created with:
- scipy version: 1.1.0
- numpy version: 1.16.0
- numba version: 0.39.0
- pytorch version: 0.4.1
- pytoolz version: 0.9.0
To run this code, copy correlations.py to working directory:
import correlations
# for periodic cross autocorrelations for X1
gg = compute_statistics(boundary="periodic", corrtype="auto", cutoff=None, device=torch.device("cpu"), args0=X1)
# for periodic cross crosscorrelation between X1 and X2
gg = compute_statistics(boundary="periodic", corrtype="cross", cutoff=None, device=torch.device("cpu"), args0=X1, args1=X2)
# for non-periodic cross crosscorrelations between X1 and X2
gg = compute_statistics(boundary="nonperiodic", corrtype="cross", cutoff=None, device=torch.device("cpu"), args0=X1, args1=X2)
project is currently under active development.
Please send questions and issues about installation and usage of this code to apaar92@gmail.com