Enabled neighbor list build on the device with pair_style hybrid and hybrid/overlay

2019-04-16 23:30:25 -05:00
parent 898860328b
commit c55009a0ac
8 changed files with 80 additions and 27 deletions
--- a/lib/gpu/lal_base_charge.cpp
+++ b/lib/gpu/lal_base_charge.cpp
@ -71,6 +71,12 @@ int BaseChargeT::init_atomic(const int nlocal, const int nall,
  if (success!=0)
    return success;

+  success = device->init_nbor(nbor,nlocal,host_nlocal,nall,maxspecial,_gpu_host,
+                  max_nbors,cell_size,false,_threads_per_atom);
+
+  if (success!=0)
+    return success;
+
  ucl_device=device->gpu;
  atom=&device->atom;