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Unify external potential contributions #144

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fsmoncadaa opened this issue May 12, 2025 · 0 comments
Open

Unify external potential contributions #144

fsmoncadaa opened this issue May 12, 2025 · 0 comments
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enhancement New feature or request

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@fsmoncadaa
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Right now we can compute three different type of "external" potentials: linear electric field (for polarizability), harmonic (for QDO), and linear combination of GTFs (for arbitrary potentials like He-C60). In the code, we have a variable: CONTROL_instance%IS_THERE_EXTERNAL_POTENTIAL, that in the SCF module is related only to the linear combination of GTFs. I want this variable to handle the three different contributions (and maybe add a flag for each specific type)

@fsmoncadaa fsmoncadaa self-assigned this May 12, 2025
@fsmoncadaa fsmoncadaa added the enhancement New feature or request label May 12, 2025
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