FIX BUG: init struct energy for dipole

brucefan1983 · Oct 24, 2024 · e4a722f · e4a722f
1 parent dafd341
commit e4a722f
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/main_nep/structure.cuh b/src/main_nep/structure.cuh
@@ -24,7 +24,7 @@ struct Structure {
   int has_virial;
   int has_temperature;
   float weight;
-  float energy;
+  float energy = 0.0f;
   float virial[6];
   float box_original[9];
   float volume;