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Updated materials and thermo builder #177

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merged 20 commits into from
Mar 22, 2021
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jmmshn
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@jmmshn jmmshn commented Mar 16, 2021

  • materials_id now uses the smallest possible value to prevent drift
  • fixed typo in thermo builder now works, results on 'mp_core_new'
  • changed some install settings to allow more flexibility in the requirements.txt
  • pegged to pymatgen version to the master branch

@jmmshn jmmshn changed the title [WIP] Updated materials and thermo builder Updated materials and thermo builder Mar 16, 2021
@@ -54,6 +54,12 @@ def from_tasks(
quality_scores: quality scores for various calculation types
use_statics: Use statics to define a material
"""
if task_group == 0:
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Should there be len in there?

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Yeah I'll add a test for and update this PR

@shyamd shyamd merged commit 60cdfdd into materialsproject:main Mar 22, 2021
utf pushed a commit to utf/emmet that referenced this pull request May 8, 2021
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2 participants