atomate.feff package

Subpackages

• atomate.feff.firetasks package
  • Subpackages
    • atomate.feff.firetasks.tests package
      • Submodules
      • atomate.feff.firetasks.tests.test_tasks module
      • Module contents
  • Submodules
  • atomate.feff.firetasks.glue_tasks module
  • atomate.feff.firetasks.parse_outputs module
  • atomate.feff.firetasks.run_calc module
  • atomate.feff.firetasks.write_inputs module
  • Module contents
• atomate.feff.fireworks package
  • Subpackages
    • atomate.feff.fireworks.tests package
      • Submodules
      • atomate.feff.fireworks.tests.test_fireworks module
      • Module contents
  • Submodules
  • atomate.feff.fireworks.core module
  • Module contents
• atomate.feff.workflows package
  • Subpackages
    • atomate.feff.workflows.tests package
      • Submodules
      • atomate.feff.workflows.tests.test_eels_workflows module
      • atomate.feff.workflows.tests.test_exafs_scattering_paths module
      • atomate.feff.workflows.tests.test_xas_workflows module
      • Module contents
  • Submodules
  • atomate.feff.workflows.core module
  • atomate.feff.workflows.presets module
  • Module contents

Submodules

atomate.feff.database module

This module defines the database classes.

class atomate.feff.database.FeffCalcDb(host='localhost', port=27017, database='feff', collection='tasks', user=None, password=None, **kwargs)

Bases: atomate.utils.database.CalcDb

__init__(host='localhost', port=27017, database='feff', collection='tasks', user=None, password=None, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

build_indexes(indexes=None, background=True)

Build the indexes.

Args:

indexes (list): list of single field indexes to be built. background (bool): Run in the background or not.

reset()

Module contents