Skip to content

Number of electrons in embedded system #149

@MIWdlB

Description

@MIWdlB

The number of electrons in the embedded system is just set by assuming that the same number of occupied alpha and beta orbitals are localized, and that they're both full.

We could do this better by using the embedded density matrix from the localizer to find the actual number in the alpha and beta orbitals.

Metadata

Metadata

Assignees

No one assigned

    Labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions