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Nexus: fix poscar write #4331

Merged
merged 2 commits into from
Nov 21, 2022
Merged

Nexus: fix poscar write #4331

merged 2 commits into from
Nov 21, 2022

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jtkrogel
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Proposed changes

Allow writes of labeled elements (e.g. Cr1) to poscar files.

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

  • New feature

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

Workstation

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'

@ye-luo
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ye-luo commented Nov 21, 2022

Test this please

@ye-luo ye-luo merged commit d416387 into QMCPACK:develop Nov 21, 2022
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3 participants