explicitly set neighbor request to full to fix bug #1109 (#1128)

Co-authored-by: Han Wang <wang_han@iapcm.ac.cn>
deepmodeling · Sep 11, 2021 · 700773f · 700773f
1 parent 95a0340
commit 700773f
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/source/lmp/pair_deepmd.cpp b/source/lmp/pair_deepmd.cpp
@@ -992,7 +992,7 @@ void PairDeepMD::init_style()
 {
   int irequest = neighbor->request(this,instance_me);
   neighbor->requests[irequest]->half = 0;
-  // neighbor->requests[irequest]->full = 1;  
+  neighbor->requests[irequest]->full = 1;  
   // neighbor->requests[irequest]->newton = 2;  
   if (out_each == 1){
     int ntotal = atom->natoms;