materialsproject / pyrho

https://materialsproject.github.io/pyrho/

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Update `MPRester` import and add `has_props` to query in download notebook #103

Closed munrojm closed 2 years ago

munrojm commented 2 years ago

from mp_api import MPRester -> from mp_api.client import MPRester.
has_props=[HasProps.charge_density] added to general query to ensure only materials with charge density data are returned.

codecov-commenter commented 2 years ago

Codecov Report

Merging #103 (d4608ea) into main (b4b7d6b) will not change coverage. The diff coverage is n/a.

@@           Coverage Diff           @@
##             main     #103   +/-   ##
=======================================
  Coverage   79.27%   79.27%           
=======================================
  Files           5        5           
  Lines         304      304           
=======================================
  Hits          241      241           
  Misses         63       63

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