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Get Atomic Property #216

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Ali-Tehrani opened this issue Jan 5, 2024 · 1 comment
Open

Get Atomic Property #216

Ali-Tehrani opened this issue Jan 5, 2024 · 1 comment

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@Ali-Tehrani
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Create a method inside MolGrid called get_atomic_property that takes in a atomic property as an array evaluated on the MolGrid.points and returns another atomic property of that array.

This method uses the aim_weights and MolGrid.indices in-order to get the atomic property.
@Aditish51
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hello @Ali-Tehrani Can I work on this issue?

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@Ali-Tehrani @Aditish51