Created
March 17, 2018 12:01
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Awful way of rotating a cell
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| 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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