[DFTB-Plus-User] cubemanip

[Sharma SRK Chaitanya Yamijala]

Hi,

I would like to just inform that I am getting the following error with the
cubemanip presented in the tools/misc/cubemanip of the dftbplus-v17.1. This
is not the case with the earlier versions of cubemanip.

I couldn't see much differences between the old and new versions (except
the change in the way of calling numpy and using num.Float instead of
num.Float at two places). Does, calling oldnumeric created any problem?

./newcubemanip.py '($1) - ($2)' 233.cube 234.cube > hi.cube

Traceback (most recent call last):
  File "./newcubemanip.py", line 276, in <module>
    main()
  File "./newcubemanip.py", line 220, in main
    cubeList = [ getCubeRepr(fname) for fname in fnames ]
  File "./newcubemanip.py", line 94, in getCubeRepr
    cc.origin = num.array([ float(s) for s in words[1:4] ])
AttributeError: 'str' object has no attribute 'array'

Thanks,
Sharma.


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SRK *Chaitanya* Sharma, Yamijala.
http://www.bmwong-group.com/group-members/
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