Fixed the element symbol (#241)

The element symbol is wrong, it should be Mg instead of Zr. Signed-off-by: Runze Liu <[email protected]>
materialsvirtuallab · Mar 13, 2024 · ee9e987 · ee9e987
1 parent 33ca510
commit ee9e987
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/examples/Using LAMMPS with MatGL.ipynb b/examples/Using LAMMPS with MatGL.ipynb
@@ -230,10 +230,10 @@
     "\n",
     "read_data     ./dat.lammps\n",
     "replicate     {x} 1 1\n",
-    "pair_coeff    * *  M3GNet-MP-2021.2.8-DIRECT-PES  Zr O  # MatGL will be called\n",
+    "pair_coeff    * *  M3GNet-MP-2021.2.8-DIRECT-PES  Mg O  # MatGL will be called\n",
     "\n",
     "dump          myDump all custom 10 xyz.lammpstrj id element x y z\n",
-    "dump_modify   myDump sort id element Zr O\n",
+    "dump_modify   myDump sort id element Mg O\n",
     "\n",
     "thermo_style  custom step time cpu pe ke etotal temp press vol density\n",
     "thermo        10\n",