quemb.molbe.mbe

Module Attributes

IntTransforms

Literal type describing allowed transformation strategies.

Functions

initialize_pot(n_frag, relAO_per_edge)

Initialize the potential array for bootstrap embedding.

Classes

BE(mf, fobj, *[, eri_file, lo_method, ...])	Class for handling bootstrap embedding (BE) calculations.
storeBE(Nocc, hf_veff, hcore, S, C, hf_dm, ...)