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ASE 3.17.0 compatibility #113

Merged
merged 10 commits into from
Jan 15, 2019
Merged

ASE 3.17.0 compatibility #113

merged 10 commits into from
Jan 15, 2019

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mhangaard
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@mhangaard mhangaard commented Dec 4, 2018 •
edited

  • Updating CatMAP to require ASE>=3.17.0
  • catalysis-hub.org API added, using the EnergyLandscape module.
    • pass a publication title to retrieve formation energies and export to CatMAP data txt.
  • ASE db to cathub folder structure method updated.

@mhangaard mhangaard mentioned this pull request Dec 4, 2018
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@mhangaard mhangaard changed the title Ase3170 compatibility ASE 3.17.0 compatibility Dec 5, 2018
@mhangaard mhangaard merged commit 4e340cb into SUNCAT-Center:master Jan 15, 2019
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