try to export ut output

deepmodeling · Feb 27, 2024 · bb45b40 · bb45b40
1 parent 0a440c5
commit bb45b40
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/source/api_cc/tests/test_deeppot_pt.cc b/source/api_cc/tests/test_deeppot_pt.cc
@@ -279,13 +279,14 @@ TYPED_TEST(TestInferDeepPotAPt, cpu_lmp_nlist_atomic) {
   std::vector<int> ilist(nloc), numneigh(nloc);
   std::vector<int*> firstneigh(nloc);
   deepmd::InputNlist inlist(nloc, &ilist[0], &numneigh[0], &firstneigh[0]);
+  std::cout << nlist_data <<std::endl;
   convert_nlist(inlist, nlist_data);
-
   double ener;
   std::vector<VALUETYPE> force_, atom_ener_, atom_vir_, virial;
   std::vector<VALUETYPE> force, atom_ener, atom_vir;
   dp.compute(ener, force_, virial, atom_ener_, atom_vir_, coord_cpy, atype_cpy,
              box, nall - nloc, inlist, 0);
+  std::cout << atom_ener_ <<std::endl;
   _fold_back<VALUETYPE>(force, force_, mapping, nloc, nall, 3);
   _fold_back<VALUETYPE>(atom_ener, atom_ener_, mapping, nloc, nall, 1);
   _fold_back<VALUETYPE>(atom_vir, atom_vir_, mapping, nloc, nall, 9);