QMCPACK
DiracDeterminantBatched xxxWithSpin APIs
Please review the developer documentation on the wiki of this project that contains help and requirements.
Proposed changes
Part of #3712, this adds a unit test for DiracDeterminantBatched for the spinor orbital case. Essentially, it uses the same values from the DiracDeterminant unit test. For now, I have only added the single walker APIs for evalGradWithSpin and ratioGradWithSpin. Will add the actual mw_ APIs in a separate PR
What type(s) of changes does this code introduce?
Delete the items that do not apply
- New feature
Does this introduce a breaking change?
- No
What systems has this change been tested on?
MacBook Pro, M1 Pro chip
Checklist
Update the following with a yes where the items apply. If you're unsure about any of them, don't hesitate to ask. This is simply a reminder of what we are going to look for before merging your code.
- Yes. This PR is up to date with current the current state of 'develop'
- Yes. Code added or changed in the PR has been clang-formatted
- Yes. This PR adds tests to cover any new code, or to catch a bug that is being fixed
- No. Documentation has been added (if appropriate)
To keep problematic commit out of the repo, could you squash the last two commits or I can squash all the commits in this PR but likely you prefer keeping intermediate commits.
To keep problematic commit out of the repo, could you squash the last two commits or I can squash all the commits in this PR but likely you prefer keeping intermediate commits.
I'm happy for you to squash all the commits.