relaxation when the ASE version provides a cell filter. - Optimization and MD write ASE ``.traj`` and ``.log`` files to ``examples_outputs/`` by default. Pass ``--no-write-outputs`` to disable this.

helpers.do_test_kv_pair(tmp_path, 'bob', 2, kv_str='bob'+sp0+'='+sp1+'2') helpers.do_test_kv_pair(tmp_path, 'bob#joe', 2, kv_str='bob#joe'+sp0+'='+sp1+'2') helpers.do ...

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