vibeqc.AICCM2026DevBFiniteTorusConvention¶

class vibeqc.AICCM2026DevBFiniteTorusConvention(coulomb_kernel, exchange_q0, boundary_model, periodic_dimension, character_mesh_shape, bvk_madelung_supercell_repetitions, bvk_madelung_supercell_lattice_bohr, orbital_energy_convention='HF/Kohn-Sham eigenvalues include the declared exchange_q0 seam')[source]¶

Bases: object

Finite-N Hamiltonian convention attached to every B-stream result.

The descriptor is intentionally explicit about the exchange q=0 seam: finite-N HF, MP2, CCSD(T), and local-correlation numbers are comparable only when this convention matches. A strict-zero-mode exchange reference is a different finite torus, even though it has the same thermodynamic target.

Parameters:

coulomb_kernel (str)
exchange_q0 (str)
boundary_model (str)
periodic_dimension (int)
character_mesh_shape (tuple[int, int, int])
bvk_madelung_supercell_repetitions (tuple[int, int, int])
bvk_madelung_supercell_lattice_bohr (tuple[tuple[float, float, float], ...])
orbital_energy_convention (str)

__init__(coulomb_kernel, exchange_q0, boundary_model, periodic_dimension, character_mesh_shape, bvk_madelung_supercell_repetitions, bvk_madelung_supercell_lattice_bohr, orbital_energy_convention='HF/Kohn-Sham eigenvalues include the declared exchange_q0 seam')¶

Parameters:

coulomb_kernel (str)
exchange_q0 (str)
boundary_model (str)
periodic_dimension (int)
character_mesh_shape (tuple[int, int, int])
bvk_madelung_supercell_repetitions (tuple[int, int, int])
bvk_madelung_supercell_lattice_bohr (tuple[tuple[float, float, float], ...])
orbital_energy_convention (str)

Return type:

None

Methods

__init__(coulomb_kernel, exchange_q0, ...[, ...])

Attributes

`orbital_energy_convention`
`coulomb_kernel`
`exchange_q0`
`boundary_model`
`periodic_dimension`
`character_mesh_shape`
`bvk_madelung_supercell_repetitions`
`bvk_madelung_supercell_lattice_bohr`

coulomb_kernel: str¶

exchange_q0: str¶

boundary_model: str¶

periodic_dimension: int¶

character_mesh_shape: tuple[int, int, int]¶

bvk_madelung_supercell_repetitions: tuple[int, int, int]¶

bvk_madelung_supercell_lattice_bohr: tuple[tuple[float, float, float], ...]¶

orbital_energy_convention: str = 'HF/Kohn-Sham eigenvalues include the declared exchange_q0 seam'¶