Description — BAGEL Manual

# Description

The constructor of molecular aggregate for ASD-DMRG algorithm.

# Keywords

`multisite`

Description: start construting multisite

`refs`

Description: provide saved reference names
Recommendation: refer to sample input for details

`active`

Description: specify single site active orbitals
Datatype: set<int>

`hf`

Description: multisite restricted Hartree-Fock calculation options
Default: use the same options as single site Hartree–Fock calculations

`localization`

Description: localize multisite molecular orbitals
Default: use default Orbital localization

# Prerequisite

Hartree–Fock calculations are needed to obtain fragment orbitals.