{ "id": "using-qtaim-and-wfn_task2", "snapshot": "avogadro", "instruction": "在 Avogadro 中,通过调整 Display Types 面板开启 QTAIM 视图并关闭球棍模型,以便突出显示键临界点。", "source": "custom", "config": [ { "type": "launch", "parameters": { "command": [ "C:\\Avogadro2\\bin\\avogadro2.exe" ] } }, { "type": "sleep", "parameters": { "seconds": 5 } } ], "trajectory": "trajectories/", "related_apps": [ "avogadro" ], "evaluator": { "postconfig": [ { "type": "sleep", "parameters": { "seconds": 3 } } ], "func": "vllm_eval" }, "proxy": false, "fixed_ip": false, "possibility_of_env_change": "low", "metadata": { "input_files": [], "steps": "1. 在软件主界面中,找到标有 \"Display Types\" 的面板区域。\n2. 在 \"Display Types\" 面板的选项列表中,滚动查找并定位到标有 \"QTAIM\" 的选项。\n3. 单击 \"QTAIM\" 选项左侧的复选框,确保其处于被勾选状态。\n4. 在同一个 \"Display Types\" 面板的选项列表中,滚动查找并定位到标有 \"Ball and Stick\" 的选项。\n5. 单击 \"Ball and Stick\" 选项左侧的复选框,将其取消勾选。", "steps_original": "1. 定位到软件界面中的 Display Types(显示类型)面板\n2. 在列表中找到 QTAIM 选项,并勾选其左侧的复选框\n3. 在同一列表中找到 Ball and Stick 选项\n4. 取消勾选 Ball and Stick 的复选框以隐藏经典模型" } }