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Trsh Orca auxilliary basis demand #665

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Lilachn91 opened this issue Jun 1, 2023 · 1 comment
Open

Trsh Orca auxilliary basis demand #665

Lilachn91 opened this issue Jun 1, 2023 · 1 comment
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@Lilachn91
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Describe the bug
ARC tried to trsh the following error in Orca "For DLPNO calculations we need at least one auxiliary basis set" using method 'change_node'.

How to reproduce
Orca input and output file attached, need to add to auxiliary basis '/c' at the end.
input.txt
output.txt

Expected behavior
ARC should alert the user of a problematic basis set, and then gracefully terminate.

@kfir4444
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kfir4444 commented Jun 1, 2023

thanks @Lilachn91!
Why should we terminate and not choose an appropriate basis set for the user?

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