matmethods.feff package

Subpackages

• matmethods.feff.firetasks package
  • Submodules
  • matmethods.feff.firetasks.parse_outputs module
  • matmethods.feff.firetasks.run_calc module
  • matmethods.feff.firetasks.write_inputs module
  • Module contents
• matmethods.feff.fireworks package
  • Submodules
  • matmethods.feff.fireworks.core module
  • Module contents
• matmethods.feff.workflows package
  • Submodules
  • matmethods.feff.workflows.eels module
  • matmethods.feff.workflows.xas module
  • Module contents

Submodules

matmethods.feff.database module

class matmethods.feff.database.MMFeffDb(host=u'localhost', port=27017, database=u'feff', collection=u'tasks', user=None, password=None)

Bases: matmethods.utils.database.MMDb

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

build_indexes(indexes=None, background=True)

reset()

matmethods.feff.utils module

matmethods.feff.utils.get_all_absorbing_atoms(absorbing_atom, structure)

If the absorbing atom is specified as a string, return the list of all sites with the atomic symbol

Args:

absorbing_atom (str/int): site symbol or index number structure (Structure)

Returns:

list: list of site indices

Module contents