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GW-BSE calculation with Abinit #816

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tatha0003 wants to merge 21 commits intomaterialsproject:mainmaterialsproject/atomate2:mainfrom tatha0003:maintatha0003/atomate2:mainCopy head branch name to clipboard

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Commits

Commits on Apr 17, 2024

• First commit

  

  Tathagata Biswas

  committed
  143c172

Commits on Apr 18, 2024

• GW convergence fixed

  

  Tathagata Biswas

  committed
  6e4b952

Commits on Apr 23, 2024

• First commit

  

  Tathagata Biswas

  committed
  465d15e

Commits on Apr 29, 2024

• bsemdf added

  

  Tathagata Biswas

  committed
  d546062

• bse added

  

  Tathagata Biswas

  committed
  53cf8b5

Commits on Jun 26, 2024

• BSE workflows added

  

  Tathagata Biswas ([email protected])

  committed
  f73862d

Commits on Oct 2, 2024

• checked

  

  Tathagata Biswas ([email protected])

  committed
  981d245

Commits on Oct 3, 2024

• GW workflow

  

  Tathagata Biswas ([email protected])

  committed
  3530aac

• GW workflow

  

  Tathagata Biswas ([email protected])

  committed
  501709c

• Update bse.py

  tatha0003

  authored
  987f732

• Update bse.py

  tatha0003

  authored
  88c478c

• Update bse.py

  tatha0003

  authored
  06f48c9

• Update bse.py

  tatha0003

  authored
  f7311bf

Commits on Oct 12, 2024

• Update factories.py

  tatha0003

  authored
  4627b91

• Update settings.py

  tatha0003

  authored
  1989964

• Update core.py

  tatha0003

  authored
  feb4b4f

• Update core.py

  tatha0003

  authored
  60e87be

• Update base.py

  tatha0003

  authored
  d260284

• Update base.py

  tatha0003

  authored
  6cdbbba

• Update base.py

  tatha0003

  authored
  e9ef769

• Update base.py

  tatha0003

  authored
  b06dbe2