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Nexus: symmetrize kpoint grids with spglib #1544

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merged 2 commits into from Apr 11, 2019

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@jtkrogel
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commented Apr 11, 2019

In this PR, support is added to automatically find irreducible supercell k-points with spglib. This feature will be useful in the future to support irreducible twist averaging.

@ghost ghost assigned jtkrogel Apr 11, 2019

@ghost ghost added the in progress label Apr 11, 2019

@qmc-robot

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commented Apr 11, 2019

Can one of the maintainers verify this patch?

@markdewing

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commented Apr 11, 2019

okay to test

@ghost ghost assigned markdewing Apr 11, 2019

@ye-luo

ye-luo approved these changes Apr 11, 2019

@ye-luo ye-luo merged commit 4ef1370 into QMCPACK:develop Apr 11, 2019

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@ghost ghost removed the in progress label Apr 11, 2019

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