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FireballPy

  • User Guide
  • API reference
  • Fireball
  • ASE
  • GitHub
  • PyPI
  • User Guide
  • API reference
  • Fireball
  • ASE
  • GitHub
  • PyPI

Index

A | B | C | F | G | K | L | M | O | P | R | S | U

A

  • AtomSystem (class in fireballpy)

B

  • BandPath (class in fireballpy.bands)
  • BaseFireball (class in fireballpy)

C

  • calc_forces() (fireballpy.BaseFireball method)

F

  • FDataFiles (class in fireballpy)
  • Fireball (class in fireballpy)
  • fireballpy
    • module
  • fix_charges() (fireballpy.Fireball method)

G

  • get_charges_method() (fireballpy.FDataFiles method)
  • get_correction() (fireballpy.FDataFiles method)
  • get_eigenvalues() (fireballpy.Fireball method)
  • get_eigenvectors() (fireballpy.Fireball method)
    • (in module fireballpy.outputs)
  • get_fermi_level() (fireballpy.Fireball method)
  • get_hamiltonian() (in module fireballpy.outputs)
  • get_ibz_k_points() (fireballpy.Fireball method)
  • get_k_point_weights() (fireballpy.Fireball method)
  • get_number_of_bands() (fireballpy.Fireball method)
  • get_number_of_shells() (fireballpy.Fireball method)
  • get_shell_charges() (fireballpy.Fireball method)

K

  • KPoints (class in fireballpy)

L

  • load_fdata() (fireballpy.FDataFiles method)
    • (in module fireballpy)

M

  • module
    • fireballpy

O

  • OrbitalMatrix (class in fireballpy.outputs)
  • OrbitalVector (class in fireballpy.outputs)

P

  • plot() (fireballpy.bands.BandPath method)

R

  • run_scf() (fireballpy.BaseFireball method)

S

  • set_cell() (fireballpy.AtomSystem method)
  • set_coords() (fireballpy.AtomSystem method)
  • set_kpoints() (fireballpy.KPoints method)

U

  • unfix_charges() (fireballpy.Fireball method)
  • update_coords() (fireballpy.AtomSystem method)
    • (fireballpy.BaseFireball method)

© Copyright 2024, José Ortega Mateo, Jesús Ignacio Mendieta Moreno, Daniel González Trabada, Jorge Vega Martín, C. Roldán Piñero.

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