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Published 20 hours ago • verified publisher icon zerothi

Writing appended geometries with similar atomic species to siesta_nc results in faulty file

Open zerothi opened this issue 11 months ago • 0 comments

Describe the bug

Reproducable code

C1 = Atom(6, R=1.1)
C2 = Atom(6, R=1.2)
g = Geometry(.., [C1, C2])
g.write("DEVICE.nc")

This results in failures.

zerothi avatar Jul 21 '23 18:07 zerothi