Open liangtianumich opened 5 years ago
@liangtianumich I am currently running into this problem also. Did you manage to find another package that can support this many points?
@utf I don't find any. I think that this may not be needed since we are not interested in calculating all atoms voro index of a large sample. By shrinking the interested atom number, we can let it work. See this issue: https://github.com/joe-jordan/pyvoro/issues/18
I have tested and found that it works for 225,000 data points, however, it failed for 250,000 data points, which should be related to memory error. Is there any solution for large data points? Both pyvoro and tess has this issue.