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fixes for running through basics- verdi cli section #236

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merged 5 commits into from
Jul 1, 2020

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@ltalirz ltalirz commented Jun 30, 2020

fixes #146
fixes #184
fixes #240

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ltalirz commented Jun 30, 2020

@giovannipizzi @chrisjsewell @sphuber
I have tested the 'Basics' section and this PR includes a couple of fixes.

Issues to be resolved elsewhere:
#241
#239
#238 <= I could address this issue in this PR as well but I'm not sure what the original intention is, perhaps @sphuber will know
#237

output_kpoints 1455 KpointsData
output_parameters 789 Dict
output_structure 788 StructureData
output_trajectory_array 790 ArrayData
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are you sure this is output_trajectory_array? I think This should be output_trajectory 790 TrajectoryData

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I simply copy-pasted the output of verdi process show ce81c420-7751-48f6-af8e-eb7c6a30cec from the tutorial VM - feel free to re-check on your VM

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Ah so that is a node that is imported from the perovskites archive. This was incorrectly migrated. But it is not a big deal, so let's leave it

docs/pages/2020_Intro_Week/sections/basics.rst Outdated Show resolved Hide resolved
Co-authored-by: Sebastiaan Huber <mail@sphuber.net>
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ltalirz commented Jul 1, 2020

Thanks for the review @sphuber !
I'm merging this now; if your comment needs further investigation, we can fix it in a separate PR

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