补充了通知模块
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@@ -408,7 +408,7 @@ class Workflow:
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# === 分支 B: 随机筛选 (保持不变) ===
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elif method == "random":
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min_n, max_n = params[1], params[2]
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min_n, max_n = params[0], params[1]
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input_str = f"203\ndump.xyz train.xyz nep.txt\n2\n{min_n} {max_n}"
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self.logger.info(f"Random selection: {min_n}-{max_n}")
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if run_cmd_with_log(kit_path, step_dir, "select_exec.log", input_str=input_str):
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