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This repository has been archived by the owner on Sep 1, 2021. It is now read-only.
Yes I know about this one, our current implementation assumes orthogonal axes, this is from the underlying Open Babel code, and the bug would need to be fixed there first (or we could read the file directly).
Hello
I want to look at a surface (begin of the file)
CP-PAW CUBE FILE
NOCHN KOMMENTAR
140 -1.000000 -1.000000 -1.000000
-80 0.221519 1.000000 0.000000
-80 0.000000 1.221519 0.000000
-80 0.000000 0.000000 1.348101
8 0.000000 7.516400 3.758200 0.000000
8 0.000000 11.274600 0.000000 0.000000
8 0.000000 3.758200 0.000000 0.000000
.
.
.
It looks like that only the value 0.221519 is taken by the program, not the whole vectors.
I test it with avogadro 1.03 on ubuntu and 0.96 on opensuse.
format-description:
http://paulbourke.net/dataformats/cube/
I cannot post the file in cause of the file-size limit.
axel.ehrich @ tu-clausthal.de
Reported by: *anonymous
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