Reorganizing the guess selection in RHF#42
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marm314 wants to merge 3 commits intopfloos:masterfrom
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Mau, Have you make sure that the search and stability analysis still work? They are using different guesses. |
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Hello,
I have reorganized the guess selection in RHF because when we read density matrices for the guess, we should not recompute P from any set of coefficients.
Mau