Dipole Density Correlation

[rfhari]

Hi @BingqingCheng, thanks for the wonderful work!

I came across this paper on long-range GNN prediction. I have been trying to understand and further explore the bulk water results.

I was just wondering if you could kindly clarify how the dipole density correlations (in Fig. 4) are calculated? I couldn’t find any references to a software tool in the paper or any corresponding code in the repository. Thank you!