Merge pull request pfnet-research#7 from mwata/unit_conversion

abs
shinh · Apr 3, 2023 · 27e47cd · 27e47cd
2 parents 3c0420b + 8c0bab7
commit 27e47cd
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/export_static_onnx.py b/export_static_onnx.py
@@ -138,7 +138,7 @@ def prepare_data(args):
     energy_orig = float(atoms.get_potential_energy())
     print("energy      = ", energy, "eV")
     print("energy_orig = ", energy_orig, "eV")
-    assert abs(energy - energy_orig) < 1e-7 * energy_orig
+    assert abs(energy - energy_orig) < 1e-7 * abs(energy_orig)
 
     print("out_dir = ", out_dir, file=sys.stderr)
     ppe_onnx.export_testcase(exporter, tuple(args.values()), out_dir, verbose=True,