Get Atomic Property

Open Ali-Tehrani opened this issue 2 years ago • 1 comments

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.

Jan 05 '24 14:01 Ali-Tehrani

hello @Ali-Tehrani Can I work on this issue?

Mar 15 '24 16:03 Aditish51