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nexus: fix for net_spin="low" in generate_physical_system #246

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merged 1 commit into from
Jun 1, 2017

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jtkrogel
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@jtkrogel jtkrogel commented Jun 1, 2017

Very small change to correct a bug in tiled systems w/ requested low spin. Useful for systems such as Al, which have a single atom in the primitive cell (necessarily spin polarized with integer electrons), but are spin unpolarized in supercells.

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Can one of the maintainers verify this patch?

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Can one of the maintainers verify this patch?

@markdewing
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okay to test

@markdewing markdewing merged commit bc13815 into QMCPACK:develop Jun 1, 2017
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3 participants