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nexus: add ability to join subsequent series as a single data source in qmca #796

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merged 1 commit into from
Apr 27, 2018

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jtkrogel
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Add new command line option to qmca (-j). Used to join/concatenate multiple series as if they appeared as a single file originally. Equilibrated data are removed prior to join.

As a preparatory step, also make twist averaged calculation more precise. Specifically, twist average the raw file data first, then perform analysis on the twist averaged data.

@ghost ghost assigned jtkrogel Apr 26, 2018
@ghost ghost added the in progress label Apr 26, 2018
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Can one of the maintainers verify this patch?

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@qmc-robot
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Can one of the maintainers verify this patch?

@markdewing
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okay to test

@markdewing markdewing merged commit 915fc85 into QMCPACK:develop Apr 27, 2018
@ghost ghost removed the in progress label Apr 27, 2018
@jtkrogel jtkrogel deleted the qmca_series_join branch May 22, 2018 11:40
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3 participants