[CP2K-user] How to read the runing convergence and MD step data and use in the judgment statement to cntrol the calculation flow in CP2K input script

Zhiyin Gan ganz... at gmail.com
Mon Dec 30 13:12:47 UTC 2019

Can anyone help me to read the running convergence an MD step data in CP2K 
input ?   I hope to add judgment statements  to  control the calculation 
flow and make more complicated calculation. 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191230/d2a7914f/attachment.htm>

More information about the CP2K-user mailing list