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Basis control on Relaxation tensor requires some more elaboration. Currently, there are too many basis changes enforced! #21

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tmancal74 opened this issue Oct 13, 2016 · 2 comments
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@tmancal74
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tmancal74 commented Oct 13, 2016

Because Redfield tensor HAS TO be calculated in the excitonic basis, and the Hamiltonian HAS TO be submitted in the local basis, we end up with unnecessary transformations of the whole tensor right after its creation. This has to be circumvented! Suggestion is to implement basis management context managers which KNOW about excitonic and diabatic basis and avoid unnecessary transformation enforce by the fact that current basis context managers blindly transform when basis is changed.

@tmancal74 tmancal74 added this to the Release 0.1 milestone Oct 13, 2016
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First solution provided: BasesManaged has a metod protect_basis()

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Method unprotect_basis() is present, but does not work.

@tmancal74 tmancal74 changed the title Basis control on Relaxation tensor requires some more elaboration. Currently, there are two many basis changes enforced! Basis control on Relaxation tensor requires some more elaboration. Currently, there are too many basis changes enforced! Oct 13, 2016
@tmancal74 tmancal74 self-assigned this Jun 18, 2018
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