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Added max_n_steps arg to BatchRelaxer#90

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yanghan234 merged 1 commit intomainfrom
add_max_steps_arg_to_batch_relaxer
Feb 24, 2025
Merged

Added max_n_steps arg to BatchRelaxer#90
yanghan234 merged 1 commit intomainfrom
add_max_steps_arg_to_batch_relaxer

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@ClaudioZeni
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This avoids the batch relaxer getting stuck on relaxations of out-of-distribution initial structures

@ClaudioZeni ClaudioZeni self-assigned this Feb 19, 2025
@ClaudioZeni ClaudioZeni added the enhancement New feature or request label Feb 19, 2025
@yanghan234 yanghan234 merged commit bf13be6 into main Feb 24, 2025
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@ClaudioZeni ClaudioZeni deleted the add_max_steps_arg_to_batch_relaxer branch March 21, 2025 11:31
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