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fix missing call in SOECPotential::evaluateValueAndDerivatives #5178

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merged 2 commits into from
Sep 20, 2024

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camelto2
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Please review the developer documentation
on the wiki of this project that contains help and requirements.

Proposed changes

Describe what this PR changes and why. If it closes an issue, link to it here
with a supported keyword.

This was supposed to be part of #5173, but I forgot to hit commit. It actually enables the use of the new code at the SOECPotential level

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?

mac

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
  • No. 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)

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:-)

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prckent commented Sep 20, 2024

Test this please

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prckent commented Sep 20, 2024

Note that based on the coverage report, it looks like we need a test here.

@prckent prckent merged commit 0d3f1ea into QMCPACK:develop Sep 20, 2024
39 of 41 checks passed
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2 participants