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xtb 6.7.2

Status: Open.

Overview

#1134 In grimme-lab/xtb;

· Albkat opened on Nov 26, 2024

--restart not working and faulty convergence with wrong restart files

bugSomething isn't workingSomething isn't working

unconfirmedThis report has not yet been confirmed by the developersThis report has not yet been confirmed by the developers

Status: Open.

Bug

#1146 In grimme-lab/xtb;

· gasevic opened on Dec 11, 2024

Reproducing CI

PipelineGitHub ActionsGitHub Actions

Status: Open.

Task

#1182 In grimme-lab/xtb;

· foxtran opened on Feb 5, 2025