Create acceptance tests for absorption spectrum calculations

tmancal74 / quantarhei

Open Quantum System Theory for Molecular Systems

MIT License

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Create acceptance tests for absorption spectrum calculations #4

Closed tmancal74 closed 8 years ago

tmancal74 commented 8 years ago

There are no acceptance tests for AbsSpect class. Since now the code is tested manually and seems to work, it would be the right time to "freeze" some of its results into a file against which one could compare in future (when a more general method of calculation of the spectrum is implemented).

tmancal74 commented 8 years ago

Calculation of AbsSpect from a Molecule with system-bath interaction is now under an acceptance test.

tmancal74 commented 8 years ago

Definition of tests for aggregate absorption created

tmancal74 commented 8 years ago

Now we have acceptance test for a dimer; just to be on a save side, we also add a trimer and then the issue can be closed.

tmancal74 commented 8 years ago

Trimer tests added, issue closed!