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Some train 🚂 thoughts #162
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Yes, sure. |
Yes, sure! it is fine with me as well. Just wanted to say, this should not be an issue once the documentation is updated and also lot of cleaning in the cli module will be done soon. So restructuring will happen that will lead to properly showing specific options pertainting to each command. Now it is a bit messy leading to confusion. Also, wanted to add |
But I'm not referring to the documentation at all :) |
This is addressed now in #172, I have now set |
Oh thank you! I kinda failed, LobsterPy was not doing what I wanted.. Gonna check out how you managed that :) |
@naik-aakash @JaGeo |
Recently with the new and temporary students (that are also rather inexperienced with using cli etc.) I think a lot about user friendliness. So I thought maybe it is a good idea to have a default functionality for each lobsterpy feature e.g.
lobsterpy plotdos
will automatically do something likelobsterpy plotdos --elements [list of atoms from POSCAR]
instead of throwing an error. The default should be chosen in a way to get most out of it with minimum complexity (e.g. in case of the DOS plotting elementwise DOS is more common than plotting orbitalwise DOS and also maybe easier to comprehend for beginners (I'm not sure about the last part, but when I learned this stuff a good while ago, this was true for me)).Since I try to improve my programming skills in python (and C++) anyways by doing exercises on the weekend or so, I thought maybe I could implement it the next WE, if you (@JaGeo and @naik-aakash) are ok with this?
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