[求助] homo和lumo批量提取的脚本

19楼: Originally posted by mchen10 at 2011-12-11 04:06:32:
[code]#!/bin/bash
# print homo lumo energy of gaussian output
# usage: print_homo_lumo filename(s)
for file in "$@"
do
echo $file
tac $file | tr "\n" "@" | egre ...