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Shorten _integrate_sd_sd_deriv #80

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kimt33 opened this issue Feb 23, 2019 · 0 comments
Open

Shorten _integrate_sd_sd_deriv #80

kimt33 opened this issue Feb 23, 2019 · 0 comments

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@kimt33
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kimt33 commented Feb 23, 2019

The methods _integrate_sd_sd_deriv in UnrestrictedChemicalHamiltonian and RestrictedChemicalHamiltonian have lots of repetitions.

They can be shortened with impure functions that add appropriate values to the variables outside its scope as a side effect. However, this may cause the code to be a little less readable as it deviates from source material (notes on orbital optimization).

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