From 1a62d1592fb1b32621e108b4b80b001d63dfac1b Mon Sep 17 00:00:00 2001 From: Konstantin Tokarev Date: Fri, 17 Nov 2023 00:42:24 +0300 Subject: [PATCH 1/1] "Okay" patch --- geometric/optimize.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/geometric/optimize.py b/geometric/optimize.py index 78d8454..73d2733 100644 --- a/geometric/optimize.py +++ b/geometric/optimize.py @@ -565,7 +565,8 @@ class Optimizer(object): # 2020-03-10: Step quality thresholds are hard-coded here. colors = {} if Quality > 0.75: step_state = StepState.Good - elif Quality > (0.5 if params.transition else 0.25): step_state = StepState.Okay + elif Converged_energy or (Quality > (0.5 if params.transition else 0.25)): + step_state = StepState.Okay elif Quality > 0.0: step_state = StepState.Poor else: colors['energy'] = "\x1b[92m" if Converged_energy else "\x1b[91m" -- 2.42.1