close and finalize LAMMPS instance in MLIAP example python scripts

examples/mliap/mliap_numpy_Ta06A.py

@@ -86,7 +86,6 @@ class LinearModel():
       energy[:] = bispectrum @ self.weights + self.bias
       beta[:] = self.weights
 
-      
 mymodel = LinearModel("Ta06A.mliap.model")
 
 import lammps
@@ -98,4 +97,5 @@ lammps.mliap.activate_mliappy(lmp)
 lmp.commands_string(before_loading)
 lammps.mliap.load_model(mymodel)
 lmp.commands_string(after_loading)
-
+lmp.close()
+lmp.finalize()

examples/mliap/mliap_pytorch_Ta06A.py

@@ -106,3 +106,5 @@ lammps.mliap.load_model(model)
 
 # run the simulation with the mliap pair style
 lmp.commands_string(after_loading)
+lmp.close()
+lmp.finalize()

examples/mliap/mliap_pytorch_Ta06A_kokkos.py

@@ -106,3 +106,5 @@ lammps.mliap.load_model_kokkos(model)
 
 # run the simulation with the mliap pair style
 lmp.commands_string(after_loading)
+lmp.close()
+lmp.finalize()

examples/mliap/mliap_unified_lj_Ar.py

@@ -63,3 +63,5 @@ lammps.mliap.load_unified(unified)
 # Run the simulation with the mliap unified pair style
 # Use pre-loaded model by specifying model filename as "EXISTS"
 lmp.commands_string(after_loading)
+lmp.close()
+lmp.finalize()