correctly compute cutneighmin when multiple requests with different cutoff exist

This commit is contained in:
Axel Kohlmeyer
2025-02-14 18:41:08 -05:00
parent 79ed41837a
commit 33026e5fd3

View File

@ -865,6 +865,13 @@ int Neighbor::init_pair()
}
}
// update cutneighmin based on individual neighbor list requests
for (i = 0; i < nrequest; ++i) {
if (requests[i]->cut) cutneighmin = MIN(cutneighmin, requests[i]->cutoff +
(requests[i]->occasional ? 0.0 : skin));
}
// morph requests in various ways
// purpose is to avoid duplicate or inefficient builds
// also sort requests by cutoff distance for trimming