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Incorrect parameter order and missing parameter in super().init() call in 'orb_pw.py' #13

@coderabbitai

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@coderabbitai

There is a mismatch in the parameter order and a missing parameter in the super().init() call within the OrbitalPW class in orb_pw.py.

In the OrbitalPW.init() method, the parameters are defined as:

def init(self, srcdir, nzmax, nzshift, diagnosis=True):

However, the call to the parent class's init method is:

coefs_default = super().init(srcdir, nzshift, diagnosis)

This call omits the required nzmax parameter and passes nzshift in the wrong position.

The parent class Orbital.init() in orb.py has the signature:

def init(self, srcdir, nzshift, diagnosis=True):

Please refer to the discussion for more details:
https://github.com/kirk0830/ABACUS-ORBGEN/pull/107#discussion_r1833754616

Reported by @coderabbitai.

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