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Nexus: Allow non spin-specific occupations in case of noncollinear #2957

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merged 4 commits into from
Feb 26, 2021

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mcbennet
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Proposed changes

Allow user to run with noncollin as true and use a non spin-specific occupation.

What type(s) of changes does this code introduce?

Small change

  • Other (please describe): Small change

Does this introduce a breaking change?

  • nxs-test is failing on rmg_input before and after my change?

What systems has this change been tested on?

Summit

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)

@qmc-robot
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Can one of the admins verify this patch?

@jtkrogel
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I recommend we track down the failing test first and then merge following a PR with the fix.

@jtkrogel
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Please open a new issue detailing the test failure.

@ye-luo
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ye-luo commented Feb 25, 2021

#2958 was opened for tracking the test failure.

@prckent
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prckent commented Feb 25, 2021

OK to test

@ye-luo ye-luo merged commit 03e6eb8 into QMCPACK:develop Feb 26, 2021
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5 participants