fix: display.txt 的 number of frames 改为实际抽帧数而非总步数

之前 number of frames 错误地填入了 record_steps（=NT），实际应该填入 n_frames_actual（=NT/NSTEP）。如 NT=20000, NSTEP=100 时抽得 200 帧，现在正确显示为 200。总步数仍在 dynamic_steps 中记录。
2026-06-12 06:51:59 +08:00
parent 0c332b7dfc
commit ab3a847483
2 changed files with 4 additions and 3 deletions
@@ -245,13 +245,14 @@ def run_case(config_path, runtime_base, input_dir="input", output_dir="output",
                  "gravity_strength": str(data.get("gravity_strength", 1.0)),
                  "driving_force": str(data.get("driving_force", 0))}
            
+            n_frames = len(indices)
            compute.save_display_txt(
                disp_path_new,
                traj_x[indices], traj_y[indices], traj_z[indices],
                traj_vx[indices], traj_vy[indices], traj_vz[indices],
-                np.array(data["atom_ids"]), record_steps, n_atoms,
+                np.array(data["atom_ids"]), n_frames, n_atoms,
                header_fields=hf)
-            print(f"[run] 从 trajectory.txt 抽帧生成 display.txt ({len(indices)} 帧)")
+            print(f"[run] 从 trajectory.txt 抽帧生成 display.txt ({n_frames} 帧)")

        # 4. 绘图（可选）
        if not no_plot and config.get("step_plot", 1):