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Nexus: fix CHGCAR conversion #1351

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merged 1 commit into from Feb 1, 2019

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@jtkrogel
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jtkrogel commented Feb 1, 2019

Small fix for XSF to CHGCAR conversion. Bug introduced with changes to internal representation of XSF data a while back (C vs. Fortran array order).

@wafflebot wafflebot bot added the in progress label Feb 1, 2019

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qmc-robot commented Feb 1, 2019

Can one of the maintainers verify this patch?

@markdewing

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markdewing commented Feb 1, 2019

okay to test

@ye-luo

ye-luo approved these changes Feb 1, 2019

@ye-luo ye-luo merged commit aa0c088 into QMCPACK:develop Feb 1, 2019

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@wafflebot wafflebot bot removed the in progress label Feb 1, 2019

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