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nmdl-mizo / interface_master

A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).
MIT License
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Evaluating integer does not work correctly for a negative value #5

Closed kiyou closed 3 years ago

kiyou commented 3 years ago

Evaluating integer does not work correctly for a negative value.

e.g. solve_DSC_equations in cellcalc.py uses: abs(r-np.round(r)) < tol for evaluation whether r is close to np.round(r) or not.

This does not work correctly for r=-1 in the test code "Tutorial_Making bicrystal for a known GB.ipynb".