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sozykinsa / GUI4dft

GUI4dft - first free SIESTA oriented GUI
MIT License
21 stars 6 forks source link

Documentation? #1

Closed zerothi closed 3 years ago

zerothi commented 3 years ago

This looks very cool! Thanks for sharing this!

Where is the documentation on how to use it, and/or extend it?

Also, why not use sisl to read in the siesta data + special attributes? I know this may be difficult on windows boxes but for unix + macos?

PS. I am the author of sisl.

sozykinsa commented 3 years ago

Hello! Praise from you is a great honor for me. sisl is a very powerful tool!

I am still working on the documentation. The main features of the program are described in the article https://doi.org/10.1016/j.cpc.2021.107843. Over time, I plan to write a more complete guide.

Using sisl to read data is a great idea. Perhaps in the future I will do just that.

zerothi commented 3 years ago

Thanks.

Yeah, I saw your paper (which directed me here ;))

Ok!