Draft: support for other Pseudopotential + downloader#6
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addman2 wants to merge 53 commits intodev-zero:developfrom
Open
Draft: support for other Pseudopotential + downloader#6addman2 wants to merge 53 commits intodev-zero:developfrom
addman2 wants to merge 53 commits intodev-zero:developfrom
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…ent order. I do not consider this as an error, therefore, I changed the assert comparission of maps of element-lists to maps of element-sets. Also one validation test had to be changed.
is it does not stores the element symbol.
…intuitive first block is he upper most angular momentum and after goes the s, p, d ...
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Last year, I was playing with this package most of all for my personal needs, I decided to share my changes. They can be summarized into 3 points:
It is marked as a draft, because at some point I didn't wanted to share it so I did some ad hoc nasty changes. Then changed my mind again if you think my changes are interesting I can clean up my code.