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optimize both images at the same time in dimer #27

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JSYLAR opened this issue Dec 12, 2023 · 1 comment
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optimize both images at the same time in dimer #27

JSYLAR opened this issue Dec 12, 2023 · 1 comment

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@JSYLAR
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JSYLAR commented Dec 12, 2023

Great work! With Orca, I have successfully implemented the use of the dimer method to locate transition states in QMMM. Is it possible to optimize both images at the same time to speed things up using dlf_get_multistate_gradients_wrapper?
@kjelljorner
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Hello! Nice that you like the package. I cannot give support on the use of the package, only the C/Python API itself. You would need to refer to the original documentation and the source code, or potential feedback from other users.

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@kjelljorner @JSYLAR