make do_compute default value to be false

deepmodeling · Sep 14, 2023 · ce6e110 · ce6e110
1 parent 7da9aaf
commit ce6e110
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/source/lmp/pair_deepmd.cpp b/source/lmp/pair_deepmd.cpp
@@ -382,6 +382,7 @@ PairDeepMD::PairDeepMD(LAMMPS *lmp)
   eps_v = 0.;
   scale = NULL;
   do_ttm = false;
+  do_compute = false;
   single_model = false;
   multi_models_mod_devi = false;
   multi_models_no_mod_devi = false;