update lal_base_dpd for optional charged

2024-06-12 14:30:54 +02:00
parent e0c2009525
commit 7f1fbca66f
3 changed files with 6 additions and 4 deletions
--- a/lib/gpu/lal_dpd_charged.cpp
+++ b/lib/gpu/lal_dpd_charged.cpp
@ -73,8 +73,9 @@ int DPDChargedT::init(const int ntypes,
  int extra_fields = 4; // round up to accomodate quadruples of numtyp values
                        // q
  int success;
+  bool need_charges = true;
  success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,
-                            gpu_split,_screen,dpd_charged,"k_dpd_charged",onetype, extra_fields);
+                            gpu_split,_screen,dpd_charged,"k_dpd_charged",onetype, extra_fields, need_charges);

  if (success!=0)
    return success;