A Python library for reading and writing Wannier90 files
Home Page: https://wannier-developers.github.io/wannier90io-python/
License: MIT License
A Python library for reading and writing Wannier90 files.
import pprint
import wannier90io as w90io
pp = pprint.PrettyPrinter()
with open(win_fpath, 'r') as fh:
parsed_win = w90io.parse_win_raw(fh.read())
with open(nnkp_fpath, 'r') as fh:
parsed_nnkp = w90io.parse_nnkp_raw(fh.read())
pp.pprint(parsed_win)
pp.pprint(parsed_nnkp)
The parsing of vector-valued parameters is not robust.
In fact, id does not digest when numbers are separated by double spaces, or comma+space:
>>> list(map(float, re.split('[ ,]', "3 3 3")))
[3.0, 3.0, 3.0]
>>> list(map(float, re.split('[ ,]', "3, 3 3")))
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
ValueError: could not convert string to float: ''
>>> list(map(float, re.split('[ ,]', "3 3 3")))
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
ValueError: could not convert string to float: ''
Can this be done more generic?
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