Shift Unit Cell

Description

Shift the unit cell to re-center periodic phenomena that are split between the opposite sides of the cell. The adjustment could be continuous between -side vector and side vector, or a fixed fraction of the unit side vector.

Input Ports

structure_in MoleculeType Molecular structure data with unit cell info.

Parameters

Continuous adjustment toggle Select the continuous (slider) adjustment of the unit cell position. Otherwise the predefined shift percentages version is visible.
This one allows entering only the following values: -1 -1/2 0 1/2 1 for the shift percentage.
a toggle or slider Shift the unit cell along the 'a' base vector of the specifed fraction of the same base vector.
b toggle or slider Shift the unit cell along the 'b' base vector of the specifed fraction of the same base vector.
c toggle or slider Shift the unit cell along the 'c' base vector of the specifed fraction of the same base vector.

Output Ports

structure_out MoleculeType Molecular structure data with shifted unit cell.
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