Adding custom grouping option

2020-12-26 11:03:29 -07:00
parent b421c3d676
commit 2458eaf4f9
30 changed files with 599 additions and 551 deletions
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@ -350,8 +350,8 @@ void Neighbor::init()
    int igroup, jgroup;
    // If not defined, create default mapping
    if(not map_type_multi) {
-      memory->create(map_type_multi,n+1,"neigh:map_type_multi");  
      n_multi_groups = n;
+      memory->create(map_type_multi,n+1,"neigh:map_type_multi");  
      for(i = 1; i <= n; i++)
        map_type_multi[i] = i-1;
    }