Jamal Mustafa
Jamal Mustafa
Thanks for the references; yes, this issue (if even an issue) seems to be a duplicate. So, this is just a case of the output shown in the README being...
Forgot about https://github.com/pseewald/fprettify/issues/96... Will update this PR after #402 is merged.
My understanding is that, currently, the user tells wannier90 at what kpoints they computed the bandstructure with the ab initio code. Could it be done the other way around? For...
I encountered this when working to write a parser for the WIN file (see aiidateam/aiida-wannier90#99 for some context). Splitting on the valid separators should give the same result, so the...
In Python, one might parse `exclude_bands : 2, 6-8, 12` as follows: ```python >>> re.split(r'[ ,;]', '2, 6-8, 12') ['2', '', '6-8', '', '12'] ``` Here, we get 3 types...
I scanned through the results in https://github.com/search?q=path%3A*.win+exclude_bands&type=code and did find a couple of examples that rely on parsing `m - n` as a range (see [here](https://github.com/Z2PackDev/Z2Pack/blob/a87eee59753be0b08c43a124a1690ceafeb3cce9/examples/fp/espresso/6/Bi/input/tpl_bi.win)). However, the majority of...
This may also be an issue for those that maintain a set of common dotfiles and replicate them across multiple systems (eg, https://news.ycombinator.com/item?id=11071754). Some systems may not yet have cargo...
Admittedly, consolidating the scripts is probably just a matter of taste. There may be some benefit in being able to more easily recognize code patterns and keeping things DRY. Could...
Oops! on my part with the marking as draft/ready noise. @story645, did you think the approach proposed above is worth continuing? If so, I have more changes that can be...
I will re-mark as draft before adding more commits, so that the changes could be discussed along the way. Agreed @story645, will wait for feedback from @rougier. Ideally, this is...