BUG: Handle `DynamicsSaddleSearch` correctly

TheochemUI / EONgit

eON v3 and beyond

https://theochemui.github.io/EONgit/

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

2 stars 1 forks source link

BUG: Handle `DynamicsSaddleSearch` correctly #135

Open HaoZeke opened 1 week ago

HaoZeke commented 1 week 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 4 days 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.