diff --git a/src/workflow.py b/src/workflow.py index 37db84b..4236de9 100644 --- a/src/workflow.py +++ b/src/workflow.py @@ -408,7 +408,7 @@ class Workflow: # === 分支 B: 随机筛选 (保持不变) === 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}" 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):