returns a list of occupations in occs that distributes Nelectot electrons in Norbtot orbitals where the occupations comply with the general active space definitions provides by the list of gass: gass(i)%orbitals(:) is a list defining an orbital subset gass(i)%nmin the minimum number of electrons in this orbital subset gass(i)%nmax the maximum number of electrons in this orbital subset
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | norbtot | |||
| integer, | intent(in) | :: | nelectot | |||
| type(gas), | intent(in) | :: | gass(:) | |||
| integer, | intent(out), | allocatable | :: | occs(:,:) |