QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Jahanzaib on January 11, 2025, 00:19

Title: IV stop
Post by: Jahanzaib on January 11, 2025, 00:19

Hello Expert,
I want to re run my IV job as it stops, I have gone throught this (https://docs.quantumatk.com/tutorials/restarting_calculations/restarting_calculations.html) but in my case, I calculated the TS, then give path to TS and then calculated IV curve? Is there a other way to rerun from the last step?

Title: Re: IV stop
Post by: Anders Blom on January 16, 2025, 02:43

If you are using the IVCharacteristics method, the script is restartable as-is. That is, just rerun the script, without modifications, and it will skip all tasks already done.