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Generalised input options for RPA (+SR) #38

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benroberts999 opened this issue Mar 14, 2024 · 2 comments
Open

Generalised input options for RPA (+SR) #38

benroberts999 opened this issue Mar 14, 2024 · 2 comments
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enhancement performance Performance issue

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@benroberts999
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  • Allow a basis string be specified for Structure Radiation (and diagram RPA!), similar to CI case
  • Make consistent input block structure
@benroberts999
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Same also for including Sigma into Breit - see #40

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benroberts999 commented Jul 18, 2024 •
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Update:
Have standardised options for RPA (and SR module?):
Include, e.g.,

  • method
  • eps target
  • max_iterations
  • damping factor
  • Basis string (only diagram, basis)
  • n_min_core (in theory, all)

@benroberts999 benroberts999 changed the title Add basis string input for Structure Radiation (+RPA) Generalised input options for RPA (+SR) Jul 18, 2024
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