Function uw12::setup_occupations(const double *, size_t)

• Defined in File libuw12.hpp

Function Documentation

Occupations uw12::setup_occupations(const double *occ, size_t n_occ)

Setup orbital occupations (Closed shell) Occupations must correspond to the first n_occ orbitals in C

Parameters

• occ – Occupation vector as an array of size n_occ

• n_occ – Number of occupied orbitals

Returns

Occupations