05 2015 档案

scp和ssh如何连接指定端口的远程主机
摘要：scp -P Port# username@remoteserver:/pathA/filename /pathB/ssh username@remoteserver -p Port# 阅读全文
posted @ 2015-05-25 14:53 Ticraft 阅读(270) 评论(0) 推荐(0)
Calculate total energies on various inter-atomic distances and Run batch DFT and DFTB jobs
摘要：Change interatomic distance and Run DFT (Density Functional Theory, deMon2k code):#! /bin/bashfor n in `head -n 1 ../distances` do molecule=${1%.... 阅读全文
posted @ 2015-05-25 14:12 Ticraft 阅读(162) 评论(0) 推荐(0)