Multi-Step ORCA Output Frequency Visualization Issue

General Discussion Support
1

Continuing the discussion from Issue with visualizing multiple frequency results in ORCA output:

Hi @ghutchis ,

As I mentioned in the closed topic, the initial solution worked like a charm. However, it runs into an issue with ORCA multi-step jobs. Please take a look at the attached file.

There are 10 “VIBRATIONAL FREQUENCIES” blocks, but the Animation Tool only reads 4 of them, showing an imaginary frequency only for the 1st frame.

Could you please take a look into this? Thanks.

geom+sp.txt (642.7 KB)

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Yes, I’ll obviously take a look later today. Undoubtedly, it’s the “multi-step” part of that. I don’t think the ORCA parser necessarily handles those well.