Fixed bugs with progress file close
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@ -375,6 +375,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
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msg = f"COMPLETED: {input} marked as completed in the progress file {progress_file}"
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msg = f"COMPLETED: {input} marked as completed in the progress file {progress_file}"
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logger.info(msg)
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logger.info(msg)
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print(msg)
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print(msg)
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progress.write(msg)
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progress.close()
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progress.close()
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test_id = test_id + 1
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test_id = test_id + 1
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continue
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continue
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@ -451,6 +452,7 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
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progress.write(f"{input}: {{ folder: {input_folder}, status: skipped, unsupported log file format}}\n")
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progress.write(f"{input}: {{ folder: {input_folder}, status: skipped, unsupported log file format}}\n")
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progress.close()
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progress.close()
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test_id = test_id + 1
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test_id = test_id + 1
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continue
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else:
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else:
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logger.info(f" Cannot find a reference log file for {input_test}.")
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logger.info(f" Cannot find a reference log file for {input_test}.")
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# try to read in the thermo yaml output from the working directory
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# try to read in the thermo yaml output from the working directory
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