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Nexus: Harden Nexus excitation checks #3729

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merged 2 commits into from
Jan 14, 2022

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mcbennet
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Proposed changes

For the excitation checks in Nexus, add a bit of hardening such that the bahavior is the same regardless of whether the orbital data structure is a list or ndarray

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

  • Code hardening

Does this introduce a breaking change?

  • No. All nxs-test tests pass

What systems has this change been tested on?

Laptop, linux

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'
  • N/A. Code added or changed in the PR has been clang-formatted
  • N/A. This PR adds tests to cover any new code, or to catch a bug that is being fixed
  • N/A. Documentation has been added (if appropriate)

@mcbennet mcbennet changed the title Add np.asarray Nexus: Harden Nexus excitation checks Jan 13, 2022
@ye-luo
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ye-luo commented Jan 14, 2022

Test this please

@ye-luo ye-luo merged commit 2ecd0be into QMCPACK:develop Jan 14, 2022
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2 participants