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working ccd imaginary time propagation #30

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halvarsu
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Straight from the hat.

might need to change the indices of the C-matrix?
@Schoyen Schoyen self-requested a review February 12, 2020 14:14
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If you remove the unused import of the RungeKutta4 integrator, black the files and import ITDCCD in coupled_cluster/__init__.py, we'll merge :)

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Nice! Do a final merge with master and black, and we're there.

@halvarsu halvarsu requested a review from Schoyen March 26, 2020 11:35
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This has been broken by the refactoring of our time-dependent solvers. However, with the new structure, a very simple implementation of imaginary time propagation would be to have a property of the time-dependent solver, time_direction or something similar, which the __call__-method uses to decide the correct factor of i for the different terms.

I'll close this PR and open a new one (which will contain considerably less code) if ya'll agree:)

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Schoyen commented Mar 30, 2020

That sounds like a good idea!

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