From 4dc442fae578c820089a44f3e6cc842e5a941b94 Mon Sep 17 00:00:00 2001 From: Massimo Bortone Date: Wed, 8 May 2024 17:47:55 +0100 Subject: [PATCH] Set fragment converged property from callback results --- vayesta/solver/callback.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/vayesta/solver/callback.py b/vayesta/solver/callback.py index 219ba061..a8a29c55 100644 --- a/vayesta/solver/callback.py +++ b/vayesta/solver/callback.py @@ -47,4 +47,5 @@ def kernel(self, *args, **kwargs): results['wf'] = wf self.wf = wf - self.callback_results = results \ No newline at end of file + self.converged = results['converged'] if 'converged' in results else False + self.callback_results = results