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ForteCon 2024 #422

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brianz98 opened this issue Oct 11, 2024 · 3 comments
Open
3 tasks

ForteCon 2024 #422

brianz98 opened this issue Oct 11, 2024 · 3 comments
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@fevangelista @brianz98 @imagoulas @hrgrimsl @marink2 @EmilyHuang2005 @muhan-zhang @shuhangli98

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@brianz98
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brianz98 commented Oct 11, 2024 •
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A place to put your wishlist for ForteCon 2024!

Brian's wishlist:

  • Sparse Hamiltonian build
  • Sparse state spin2 function
  • Make DSRG a module
@EmilyHuang2005
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Emily's wishlist:

  • Clarify order of rotate_mos/localize
  • More flexibility in arguments to above options/specifying active space
  • Automate AVAS (in order to not require two Forte computations)

@marink2
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marink2 commented Oct 17, 2024

  • make rotate_mos selection of irreps start at 0 instead of 1

@hrgrimsl
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hrgrimsl commented Nov 8, 2024

ADAPT

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@fevangelista fevangelista

@brianz98 brianz98

@imagoulas imagoulas

@hrgrimsl hrgrimsl

@marink2 marink2

@EmilyHuang2005 EmilyHuang2005

@muhan-zhang muhan-zhang

@shuhangli98 shuhangli98

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@fevangelista @brianz98 @imagoulas @hrgrimsl @marink2 @EmilyHuang2005 @muhan-zhang @shuhangli98