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thomasaarholt/rotate_ase.py

Created March 17, 2018 12:01
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Awful way of rotating a cell
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rotate_ase.py
def rotate90(sample):
from ase.build import rotate as rot
a1 = (1,0,0)
a2 = (0,0,1)
b1 = (0,0,1)
b2 = (1,0,0)
rot(sample, a1, a2, b1, b2, rotate_cell=False)
sample.cell[0,0], sample.cell[2,2] = sample.cell[2,2], sample.cell[0,0]
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