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Chemical Potential Optimization for Unrestricted BE #53

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mscho527 opened this issue Dec 10, 2024 · 1 comment
Open

Chemical Potential Optimization for Unrestricted BE #53

mscho527 opened this issue Dec 10, 2024 · 1 comment
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@lweisburn
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enhancement New feature or request low priority add to low priority issues
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v0.1

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@mscho527
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          we probably want to create an issue @lweisburn

Originally posted by @mscho527 in #49 (comment)
@mscho527 mscho527 added enhancement New feature or request low priority add to low priority issues labels Dec 10, 2024
@mscho527 mscho527 mentioned this issue Dec 10, 2024
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solver.py: 323 @lweisburn

mcocdawc added a commit that referenced this issue Dec 11, 2024
@mcocdawc
fixed a lot of ARG errors in molbe
b0569aa 
- removed mo_coeff, mo_occ and similars from `solve_uccsd` because
    it is redundantly passed via `mf`
- removed `be_iter`. related to #58
- explicitly ignored the missing `enuc` and `pot`. related #53
@mscho527 mscho527 added this to the v0.1 milestone Dec 12, 2024
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enhancement New feature or request low priority add to low priority issues
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@mscho527 @lweisburn