pymatgen.io.feff package

Subpackages

Submodules

• pymatgen.io.feff.inputs module
  • Atoms
    • Atoms.atoms_string_from_file()
    • Atoms.cluster
    • Atoms.cluster_from_file()
    • Atoms.get_lines()
    • Atoms.write_file()
  • FeffParserError
  • Header
    • Header.formula
    • Header.from_cif_file()
    • Header.from_file()
    • Header.from_string()
    • Header.header_string_from_file()
    • Header.structure_symmetry
    • Header.write_file()
  • Paths
    • Paths.write_file()
  • Potential
    • Potential.pot_dict_from_string()
    • Potential.pot_string_from_file()
    • Potential.write_file()
  • Tags
    • Tags.as_dict()
    • Tags.diff()
    • Tags.from_dict()
    • Tags.from_file()
    • Tags.get_string()
    • Tags.proc_val()
    • Tags.write_file()
  • get_absorbing_atom_symbol_index()
  • get_atom_map()
• pymatgen.io.feff.outputs module
  • Eels
    • Eels.as_dict()
    • Eels.atomic_background
    • Eels.energies
    • Eels.fine_structure
    • Eels.from_file()
    • Eels.total_spectrum
  • LDos
    • LDos.charge_transfer_from_file()
    • LDos.charge_transfer_to_string()
    • LDos.from_file()
  • Xmu
    • Xmu.as_dict()
    • Xmu.calc
    • Xmu.chi
    • Xmu.e_fermi
    • Xmu.edge
    • Xmu.energies
    • Xmu.from_file()
    • Xmu.material_formula
    • Xmu.mu
    • Xmu.mu0
    • Xmu.relative_energies
    • Xmu.source
    • Xmu.wavenumber
• pymatgen.io.feff.sets module
  • AbstractFeffInputSet
    • AbstractFeffInputSet.all_input()
    • AbstractFeffInputSet.atoms
    • AbstractFeffInputSet.header()
    • AbstractFeffInputSet.potential
    • AbstractFeffInputSet.tags
    • AbstractFeffInputSet.write_input()
  • FEFFDictSet
    • FEFFDictSet.atoms
    • FEFFDictSet.from_directory()
    • FEFFDictSet.header()
    • FEFFDictSet.potential
    • FEFFDictSet.tags
  • MPEELSDictSet
  • MPELNESSet
    • MPELNESSet.CONFIG
  • MPEXAFSSet
    • MPEXAFSSet.CONFIG
  • MPEXELFSSet
    • MPEXELFSSet.CONFIG
  • MPXANESSet
    • MPXANESSet.CONFIG

Module contents

This package provides the modules to perform FEFF IO.

FEFF: http://feffproject.org/feffproject-feff.html