From 4128d52e1cf26ecee5a745926e6bc687565aaa91 Mon Sep 17 00:00:00 2001
From: Stan Gerald Moore <stamoor@sandia.gov>
Date: Fri, 17 Nov 2023 09:50:03 -0700
Subject: [PATCH] Bugfix: port missed changes from #3846

---
 src/OPENMP/npair_halffull_newton_trim_omp.cpp | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/src/OPENMP/npair_halffull_newton_trim_omp.cpp b/src/OPENMP/npair_halffull_newton_trim_omp.cpp
index 1446175013..9fdd4957af 100644
--- a/src/OPENMP/npair_halffull_newton_trim_omp.cpp
+++ b/src/OPENMP/npair_halffull_newton_trim_omp.cpp
@@ -38,6 +38,8 @@ NPairHalffullNewtonTrimOmp::NPairHalffullNewtonTrimOmp(LAMMPS *lmp) : NPair(lmp)
 void NPairHalffullNewtonTrimOmp::build(NeighList *list)
 {
   const int inum_full = list->listfull->inum;
+  const double delta = 0.01 * force->angstrom;
+  const int triclinic = domain->triclinic;
 
   NPAIR_OMP_INIT;
 #if defined(_OPENMP)
@@ -86,8 +88,17 @@ void NPairHalffullNewtonTrimOmp::build(NeighList *list)
     for (jj = 0; jj < jnum; jj++) {
       joriginal = jlist[jj];
       j = joriginal & NEIGHMASK;
+
       if (j < nlocal) {
         if (i > j) continue;
+      } else if (triclinic) {
+        if (fabs(x[j][2]-ztmp) > delta) {
+          if (x[j][2] < ztmp) continue;
+        } else if (fabs(x[j][1]-ytmp) > delta) {
+          if (x[j][1] < ytmp) continue;
+        } else {
+          if (x[j][0] < xtmp) continue;
+        }
       } else {
         if (x[j][2] < ztmp) continue;
         if (x[j][2] == ztmp) {