From 5272b3893c9f30ed2182c829664be43f37e24d5d Mon Sep 17 00:00:00 2001 From: mikibonacci Date: Fri, 6 Dec 2024 08:13:22 +0000 Subject: [PATCH] Adding two useful comments. --- src/aiida_koopmans/engine/aiida.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/aiida_koopmans/engine/aiida.py b/src/aiida_koopmans/engine/aiida.py index 102a73b..e2e89c7 100644 --- a/src/aiida_koopmans/engine/aiida.py +++ b/src/aiida_koopmans/engine/aiida.py @@ -76,6 +76,7 @@ def run(self, step: Step): return def load_step_data(self): + # TODO: if all steps in the step data are completed, we do not need to run this method. try: with open('step_data.pkl', 'rb') as f: # this will overwrite the step_data[configuration], @@ -134,6 +135,7 @@ def update_statuses(self) -> None: def load_results(self, step: Step) -> None: + # TODO: if the step is completed, we do not need to run this load_results method. self.load_step_data() if isinstance(step, Process):