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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[fix] modify cellcalc.py to fix #5 #6

Closed kiyou closed 3 years ago

kiyou commented 3 years ago

Use np.close(r, np.round(r), atol=tol) instead of abs(r - np.round(r)) < tol for fixing #5.