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IRL2 · Oct 11, 2024 · 8c2e157 · 8c2e157
1 parent d9da88d
commit 8c2e157
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/examples/ase/ase_basic_example.ipynb b/examples/ase/ase_basic_example.ipynb
@@ -141,6 +141,7 @@
     }
    ],
    "source": [
+    "# Note that this is the energy in eV, not kJ mol-1 (the standard units of ASE are different to those of OpenMM and NanoVer)\n",
     "dyn.atoms.get_potential_energy()"
    ]
   },
@@ -204,7 +205,6 @@
     }
    ],
    "source": [
-    "# Note that this is the energy in eV, not kJ mol-1 (the standard units of ASE are different to those of OpenMM and NanoVer)\n",
     "nanover_imd.dynamics.atoms.get_potential_energy()"
    ]
   },