QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: xjtumse on December 22, 2009, 03:11

Title: How can I execute a serial of *.py files by one controlling script?
Post by: xjtumse on December 22, 2009, 03:11

Dear sirs,

I have to run a serial of py files, if I run them one by one, it is very inconvenient. So how to compile a script that can control them to be executed one by one.

Title: Re: How can I execute a serial of *.py files by one controlling script?
Post by: fangyongxinxi on December 22, 2009, 03:42

I guess your question is concer about a serial of geometry optmizes or properties calculations . We often use for loop to deal with it. Examples you can see on the hand book of ATK.2008, the "geo of water" and the "trans propertes calculation about the lih2li sys ".