Hi,
I am wondering how I can access data from a compute for use in a pair_style. Specifically, I would like to access the volume of a voronoi cell which can be done via compute_peratom_voronoi. After building voro++ with LAMMPS following the instructions, I am guessing I first invoke the compute command in the input script so that voronoi computation would be performed automatically. Is this step correct?
After looking at the source code for compute_Voronoi, I see that the voronoi info is stored as a peratom array. How can I call this data? Specifically, I see volume is the first column stored in the array voro.
Any help would be appreciated!
Best,