From b433c8cb772aee80cc5523193118dcdd46c8ef91 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 5 Mar 2025 04:16:13 -0500 Subject: [PATCH] only trim if neighbor list request has a custom cutoff --- src/npair_skip_size_off2on.cpp | 2 +- src/npair_skip_size_off2on_oneside.cpp | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/npair_skip_size_off2on.cpp b/src/npair_skip_size_off2on.cpp index 89e633b238..46bc90a1ed 100644 --- a/src/npair_skip_size_off2on.cpp +++ b/src/npair_skip_size_off2on.cpp @@ -102,7 +102,7 @@ void NPairSkipSizeOff2onTemp::build(NeighList *list) dely = ytmp - x[j][1]; delz = ztmp - x[j][2]; rsq = delx * delx + dely * dely + delz * delz; - if (rsq > cutsq_custom) continue; + if ((cutsq_custom > 0.0) && (rsq > cutsq_custom)) continue; } neighptr[n++] = joriginal; diff --git a/src/npair_skip_size_off2on_oneside.cpp b/src/npair_skip_size_off2on_oneside.cpp index 7682b90d95..20a2f11cd1 100644 --- a/src/npair_skip_size_off2on_oneside.cpp +++ b/src/npair_skip_size_off2on_oneside.cpp @@ -104,7 +104,7 @@ void NPairSkipSizeOff2onOnesideTemp::build(NeighList *list) dely = ytmp - x[j][1]; delz = ztmp - x[j][2]; rsq = delx * delx + dely * dely + delz * delz; - if (rsq > cutsq_custom) continue; + if ((cutsq_custom > 0.0) && (rsq > cutsq_custom)) continue; } // flip I,J if necessary to satisfy onesided constraint @@ -163,7 +163,7 @@ void NPairSkipSizeOff2onOnesideTemp::build(NeighList *list) dely = ytmp - x[j][1]; delz = ztmp - x[j][2]; rsq = delx * delx + dely * dely + delz * delz; - if (rsq > cutsq_custom) continue; + if ((cutsq_custom > 0.0) && (rsq > cutsq_custom)) continue; } // flip I,J if necessary to satisfy onesided constraint