vibeqc.run_aiccm2026dev_b_dlpno_mp2¶

vibeqc.run_aiccm2026dev_b_dlpno_mp2(system, basis, mesh=(1, 1, 1), options=None, *, dlpno_options=None, aux_basis=None, lattice_cutoff_bohr=15.0, rsgdf_ke_cutoff=200.0, gdf_linear_dep_threshold=1e-09, progress=None, verbose=None)[source]¶

Run local-PNO MP2 on the exact real representation of the B torus.

The default uses PBC-safe Pipek-Mezey occupied localization. Pair-distance screening and local fitting remain disabled because their current molecular distance definitions are not invariant across a torus boundary.

Parameters:

system (PeriodicSystem)
basis (BasisSet)
mesh (int | Sequence[int])
options (PeriodicRHFOptions | None)
dlpno_options (object | None)
aux_basis (str | None)
lattice_cutoff_bohr (float)
rsgdf_ke_cutoff (float)
gdf_linear_dep_threshold (float)
progress (bool | object | None)
verbose (int | None)

Return type:

AICCM2026DevBDLPNOMP2Result