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octopus-code
octopus
Merge requests
!1856
Fix OEP full - spin polarized case
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Merged
Fix OEP full - spin polarized case
fix_oep_polarized
into
hotfix-12.2
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Merged
Nicolas Tancogne-Dejean
requested to merge
fix_oep_polarized
into
hotfix-12.2
2 years ago
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1
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1
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4
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8
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Description
The OEP full was not taking the right occupations for the spin-polarized case.
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The OEP full was not taking the right occupations for the spin-polarized case.
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I have checked that my code follows the
Octopus coding standards
I have added tests for all the new features added in this request.
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f487c64f
Refactoring the PZ SIC and trying to improve the logic of the code in few places.
· f487c64f
Nicolas Tancogne-Dejean
authored
2 years ago
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