Code

update Pt111 library#640

Code

Merged

rwest merged 4 commits intomainReactionMechanismGenerator/RMG-database:mainfrom update_thermoReactionMechanismGenerator/RMG-database:update_thermoCopy head branch name to clipboardMay 16, 2024

+3,539-1,239

Commits

Commits on Apr 19, 2024

• update Pt111 library

  bjkreitz

  committed
  9703701

  Copy full SHA for 9703701

• Added QE data for N containing species

  

  kirkbadger18

  authored and

  bjkreitz

  committed
  04a5444

  Copy full SHA for 04a5444

• updated old N containing thermovalues, and added a few more N containing adsorbates

  

  kirkbadger18

  authored and

  bjkreitz

  committed
  d493844

  Copy full SHA for d493844

• replacing frequencies with values from QE phonon calculator

  

  kirkbadger18

  authored and

  bjkreitz

  committed
  7acfc1d

  Copy full SHA for 7acfc1d