UT theoretical chemistry code forum

Dear administrator,
I have been using neighbors.pl for a while to calculate neighbor distances. I found that it does not handle periodic boundary conditions well, especially for my monoclinic and hexagonal unit cells. This is mainly a warning to others who may use it.

Thanks,
Nicole

Nicole,

Thanks for the feedback; I see that this script is very outdated. We'll update this to read POSCAR files and properly handle non-orthogonal cells.

Graeme

Here is an updated script which reads a POSCAR file and should properly treat non-orthogonal cells.