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[<_honzik@xxxxxxxxxx>]

Hi all,

one more explanation for those who did not understand my last email..

in the attached picture the first situation explain initial configuration of the periodic cell with the arrow representing possible periodic shift.

In the second situation there is a rotated periodic cell with arrow representing periodic shift along new axes of the cell. It is obvious, that with unrotated particles and rotated cell (if the angle is not a special case, multiple of pi/2), the cell is NOT periodic any more. This is also the reason, why the particles are overlaping in peri8.py script (the particles are shifted to new "periodic" position, which is actually not periodic :-)

The last situation would solve the problem, i.e. rotate BOTH the cell AND particles.

Best wishes

Jan

Attachment: CellBug.pdf
Description: Adobe PDF document