PickUnitCellApp

Description

This is a full application ready for use to display a molecule and pick four corner atoms to build the new unit cell. Optionally allows saving the new structure to a VASP Poscar formatted file.

Warning: the application relies on a standard Uviewer3D AVS/Express module. This means that during picking the structure should not be transformed using the mouse otherwise the atoms moves respect to the rest of the structure. Before transforming the structure a pick on the background is needed.

It combines the following modules:

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