praseAtoms does not work with occ

[KwonSnow]

Dear Dr. Zheng,

when I use --occ '1 2', error occurs
ValueError: invalid literal for int() with base 10: "'1"

When I check opts.occ, it was ["'1"] instead of ['1 2'] or [1, 2] or ['1'. '2'].
It seems the parser does not work correctly to get the atom list.
The same issue also occurs with pydos.

If I use " instead of ', so "1 2", it looks fine. It printed,
opts.occ: ['1 2']
occ: 1, 2
occAtom: {1, 2}
I'm wondering if the code works okay with those occ variables!

Any help would be greatly appreciated!
Thank you!

Best regards,
Soonho

[QijingZheng]

Hi Soonho

I can not reproduce your error if I just enter

pyband --occ '1 2'

However, if I enter

pyband --occ "'1 2"

then I can see error similar to yours.

In fact, the single and double quote in bash shell are almost identical for a string, there is no way that you can succeed with double quotes and not the single one. Could you please send me a screenshot of your execution and the error message?

Best
Qijing