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Graphene and Graphite diffusivities by Petucci 2013 #285

Merged
merged 3 commits into from
Jun 6, 2024
Merged

Graphene and Graphite diffusivities by Petucci 2013 #285

merged 3 commits into from
Jun 6, 2024

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RemDelaporteMathurin
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Fixes #269

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codecov bot commented May 31, 2024 •
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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 98.74%. Comparing base (df92eae) to head (3d580b7).
Report is 18 commits behind head on main.

Additional details and impacted files 
@@           Coverage Diff           @@
##             main     #285   +/-   ##
=======================================
  Coverage   98.73%   98.74%           
=======================================
  Files          76       76           
  Lines        1821     1827    +6     
=======================================
+ Hits         1798     1804    +6     
  Misses         23       23

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FuerstT
FuerstT suggested changes Jun 5, 2024
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Entered data is correct, but this paper simulates H2 diffusivity on/in graphene/graphite not H and that should be noted.

h_transport_materials/property_database/carbon.py Outdated
data_y=data_y_petucci_graphite,
source="petucci_diffusion_2013",
isotope="H",
note="graphite MD data from table III",
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I would change the note as such "H2 diffusion in graphite calculated by molecular dynamics".

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Done

h_transport_materials/property_database/carbon.py Outdated
data_y=data_y_petucci_graphene,
source="petucci_diffusion_2013",
isotope="H",
note="graphene MD data from table III",
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I would change the note as such "H2 diffusion on graphene calculated by molecular dynamics".

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Done

@RemDelaporteMathurin RemDelaporteMathurin merged commit 39b0d32 into main Jun 6, 2024
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@RemDelaporteMathurin RemDelaporteMathurin deleted the graphene branch June 6, 2024 13:39
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Graphene data
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@RemDelaporteMathurin @FuerstT