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pass on be_iter consistently and make use of it #58

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mcocdawc opened this issue Dec 11, 2024 · 0 comments
Open

pass on be_iter consistently and make use of it #58

mcocdawc opened this issue Dec 11, 2024 · 0 comments
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@lweisburn
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enhancement New feature or request good first issue Good for newcomers low priority add to low priority issues used to be there Functionality that got lost in transitions Frankenstein/kbe -> quemb
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Future Release

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@mcocdawc
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mcocdawc commented Dec 11, 2024 •
edited by mscho527
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  • print hamiltonian every i-th step for example
  • print heff every ith step
@mcocdawc mcocdawc added enhancement New feature or request good first issue Good for newcomers low priority add to low priority issues used to be there Functionality that got lost in transitions Frankenstein/kbe -> quemb labels Dec 11, 2024
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
@mcocdawc mcocdawc mentioned this issue Dec 11, 2024
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@mscho527 mscho527 added this to the Future Release milestone Dec 12, 2024
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@lweisburn lweisburn

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enhancement New feature or request good first issue Good for newcomers low priority add to low priority issues used to be there Functionality that got lost in transitions Frankenstein/kbe -> quemb
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@mscho527 @mcocdawc @lweisburn