Nexus: fix a Jastrow read error/warning, add several QE inputs #2819
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Can one of the admins verify this patch? |
added 2 commits
December 18, 2020 11:17
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Okay to test |
ye-luo
approved these changes
Dec 18, 2020
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Proposed changes
Fixing an error in nexus' QmcpackAnalyzer, which occasionally fails to read Jastrow coeffiecients, resulting in warning. The solution came from @jtkrogel.
Also, fix QE input handling of starting magnetization, and add support for the following QE inputs: cell_dofree, lspinorb, noncolin.
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
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Checklist