critcatworks package

Subpackages

• critcatworks.database package
  • Submodules
  • critcatworks.database.extdb module
  • critcatworks.database.format module
  • critcatworks.database.mylaunchpad module
  • critcatworks.database.read module
  • critcatworks.database.update module
  • Module contents
• critcatworks.dft package
  • Subpackages
    • critcatworks.dft.cp2k package
      • Submodules
      • critcatworks.dft.cp2k.cp2ktasks module
      • Module contents
  • Submodules
  • critcatworks.dft.general module
  • Module contents
• critcatworks.ml package
  • Submodules
  • critcatworks.ml.convergence module
  • critcatworks.ml.krr module
  • Module contents
• critcatworks.structure package
  • Submodules
  • critcatworks.structure.adsorbates module
  • critcatworks.structure.coverage module
  • critcatworks.structure.nanoclusters module
  • critcatworks.structure.singlesites module
  • Module contents
• critcatworks.workflows package
  • Submodules
  • critcatworks.workflows.clusgen module
  • critcatworks.workflows.coverage module
  • critcatworks.workflows.coverageladder module
  • critcatworks.workflows.molsinglesites module
  • critcatworks.workflows.nanoclusters module
  • critcatworks.workflows.simpleflow module
  • critcatworks.workflows.singlesites module
  • critcatworks.workflows.uniquemolsites module
  • Module contents

Module contents

Workflow manager which emerged during the CritCat project