From 6c77a50f38ca939f235857c1955698bc5ca6c2fe Mon Sep 17 00:00:00 2001 From: Lenz Fiedler Date: Thu, 26 Oct 2023 12:41:32 +0200 Subject: [PATCH] Hotfixing the tester class --- mala/network/tester.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mala/network/tester.py b/mala/network/tester.py index 7c61b5c25..f7a9e7373 100644 --- a/mala/network/tester.py +++ b/mala/network/tester.py @@ -210,7 +210,7 @@ def __calculate_observable_error(self, snapshot_number, observable, target_calculator.read_from_array(predicted_target) predicted = target_calculator.band_energy return [actual, predicted, - target_calculator.total_energy_dft_calculation] + target_calculator.band_energy_dft_calculation] elif observable == "number_of_electrons": target_calculator = self.data.target_calculator