Bugfix for TDFreezeOrbitals=sae.
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Description
The number of charge was not adjusted when using TDFreezeOrbitals=sae.
News snippet
Bugfix that was presenting to use the option TDFreezeOrbitals=sae.
Checklist
-
I have checked that my code follows the Octopus coding standards -
I have added tests for all the new features added in this request.
Merge request reports
Activity
changed milestone to %12.1
added Bugfix label
@martin.lueders This merge request addresses a bug reported by a user. Do you mind having a look?
- Resolved by Martin Lueders
In case you are wondering, we do not have tests covering the option
TDFreezeOrbitals=sae
.
added 1 commit
- d10dc4a7 - Adding a new test to cover the option sae of the TDFreezeOrbitals option.
enabled an automatic merge when the pipeline for d10dc4a7 succeeds
added 1 commit
- c59f8cca - Adding a new test to cover the option sae of the TDFreezeOrbitals option.
- Resolved by Martin Lueders
@martin.lueders You will need to reapprove this. I needed to reduce the number of processors to 1 for the new test, as it only has one state.
enabled an automatic merge when the pipeline for c59f8cca succeeds
mentioned in commit 9812b9c6
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