Fix heom steady state #2333
Merged
Fix heom steady state #2333
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
When returning the system state two errors crept into v5 that were not in v47; the ordering of the state was not specified as Fortran ordering, and a conjugate was used instead of an adjoint in ensuring hermiticity of states. Both are fixed, and a small test is added.
Just some small pep8 fixes.
Add towncrier entry.
hodgestar
approved these changes
Feb 25, 2024
|
The CI errors all appear to the result of the coveralls.io service being down. Happy for this to be merged with the failures. |
|
Is this ready to merge? |
|
Yes, I think so, thanks! |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Description
Two small bugs crept in in the conversion of the steady_state solver in the HEOM method to QuTiP v5. Firstly, the system state was returned without Fortran ordering (so it was effectively returned transposed), and the line which was supposed to enforce hermiticity used a conj() instead of an adjoint() so it just deleted the imaginary parts of the off-diagonals instead.
I think none of the notebooks or tests were sensitive to these two compounding issues, but it is fairly easy to make an example which is. This is also added as a rudimentary test, comparing output of the long-time dynamics to the steadystate. I didn't include any parameters to change in that test, but can do so if its useful.
As a comment, the steady-state solver could probably be written to be more like the standard steadystate solver. But maybe better that is done alongside an effort to make the heom solver more data-layer flexible.