标题: 求助：ESP计算提示缺少cubegen，Multiwfn使用内部程序计算了 [打印本页] 作者Author: loovfnd 时间: 2021-6-30 09:28 标题: 求助：ESP计算提示缺少cubegen，Multiwfn使用内部程序计算了 把fchk文件用Multiwfn打开，想要进行ESP，提示如下，现在在计算过程中。这是怎么回事呢。大概要算多久，CPU利用率很高 Note: Albeit current file type is fch/fchk/chk and "cubegenpath" parameter in settings.ini has been defined, the cubegen cannot be found, therefore electrostatic potential will still be calculated using internal code of Multiwfn Albeit current file type is fch/fchk/chk and "cubegenpath" parameter in settings.ini has been defined, the cubegen cannot be found, therefore electrostatic potential will still be calculated using internal code of Multiwfn (, 下载次数 Times of downloads: 14)