Extend VASP parsing of charges and magnetism #206
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ndaelman-hu
added
bug
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Any chance you can also add parsing of |
Okay, I'll look into it. |
- TODO: add tests
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Okay, so the total atomic charges are in. I can also add the projected charges, as well as atomic magnetism, but that'll require extending the schema. @JosePizarro3 We should keep this in mind for when we design Lastly, VASP only reports atomic charges / magnetizations in the |
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Fix a bug about capturing the valence electrons ('ZVAL') + add extraction of atomic charges and magentizations.
Closes #174 and Uday's request