koko/NEP-auto
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补充了通知模块

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koko
2025-12-14 20:01:43 +08:00
parent b6a1af5264
commit def07faf6d
1 changed files with 1 additions and 1 deletions
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src/workflow.py
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@@ -408,7 +408,7 @@ class Workflow:
# === 分支 B: 随机筛选 (保持不变) === # === 分支 B: 随机筛选 (保持不变) ===
elif method == "random": elif method == "random":
min_n, max_n = params[1], params[2] min_n, max_n = params[0], params[1]
input_str = f"203\ndump.xyz train.xyz nep.txt\n2\n{min_n} {max_n}" input_str = f"203\ndump.xyz train.xyz nep.txt\n2\n{min_n} {max_n}"
self.logger.info(f"Random selection: {min_n}-{max_n}") self.logger.info(f"Random selection: {min_n}-{max_n}")
if run_cmd_with_log(kit_path, step_dir, "select_exec.log", input_str=input_str): if run_cmd_with_log(kit_path, step_dir, "select_exec.log", input_str=input_str):