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Published 20 hours ago • verified publisher icon patonlab

Enabling parsing orca opt+freq output files

Open victorolet opened this issue 1 year ago • 2 comments

Hi, Are there plans to include this? Thought I'd ask as GoodVibes is a great utility and adding this would be a convenience benefit to orca users, since we can only use single point energy output files currently. Thank you.

victorolet avatar Aug 02 '22 22:08 victorolet

Hi @hekima31 , We are planning to include support for ORCA opt/freq jobs in the future, hopefully at the next GoodVibes release!

luchini18 avatar Aug 03 '22 15:08 luchini18

Hi @luchini18, Ok great! Could I ask when is the next release coming, very roughly? Thanks very much for planning this. Would be a great benefit!

victorolet avatar Aug 03 '22 23:08 victorolet