BUG: Handle `DynamicsSaddleSearch` correctly

TheochemUI / eOn

eOn v3 and beyond

https://theochemui.github.io/eOn/

BSD 3-Clause "New" or "Revised" License

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BUG: Handle `DynamicsSaddleSearch` correctly #135

Open HaoZeke opened 2 months ago

HaoZeke commented 2 months ago

There's a scoping issue from the changeover to shared_ptr<Matter> most likely. Will either need a quick patch or the actual rescoping of memory management.

HaoZeke commented 2 months ago

OK but this is part of the larger memory management refactor. Essentially before this:

Matter needs to be reworked
Constituent Jobs (NEB, MinModeSearch) need to be fixed

Then this one just falls out.