Shoubhik Maiti

@eneas77 Does this happen during the adaptive path search, or during the TS optimisation? (If the adaptive path worked correctly, there should be a `_hl_ad_.xyz`, or `_ll_ad_.xyz` file in the...

@t-young31 It should be possible to add some extra config options to `Config.NWChem` to change the optimiser parameters when initialising them if that's okay with you?

@t-young31 Please ignore all the errors in the tests - i don't want to go through the effort of modifying the tests in case changes are needed in the main...

@t-young31 Hi, when you have time, could you please take another look at this?

@t-young31 @eneas77 I do not have access to NWChem right now, but I can reproduce the error even with xTB and the new optimiser: ``` >>> import autode as ade...