Closed ChiCheng45 closed 5 months ago
In principle, the branch correct-analysis-bugs has a fix for this one, but I will check with the trajectory you specified, just to be sure.
This is the results with default parameters
and this is with pbc_border_size=0.5
But in principle it works on the trajectory you specified, so maybe I will try to make a valid PR out of the current state of that branch.
Description of the error Running the voronoi job fails to run with the following error.
Additional details Run with an MDT file generated from the converting the DFTB h2o trajectory from MDANSE-Examples.